TY - JOUR
T1 - Crystal structure of (±)-(1SR,5SR,6SR,7SR,10SR,-11 SR,13SR)-13-benzyloxy-7-methoxymethoxy-11,15,18,18-tetramethyl-3-oxo-2,4-dioxatetra-cyclo[12.3.1.01,5.06,11]octadeca-14,16-dien-10-yl benzoate
AU - Oishi, Takeshi
AU - Fukaya, Keisuke
AU - Yamaguchi, Yu
AU - Sugai, Tomoya
AU - Watanabe, Ami
AU - Sato, Takaaki
AU - Chida, Noritaka
AU - Ishida, H.
PY - 2015/5/1
Y1 - 2015/5/1
N2 - In the title compound, C36H42O8, the dioxolane ring adopts a twist conformation; the two adjacent C atoms deviate alternately from the mean plane of other atoms by - 0.287 (5) and 0.174 (5) Å. The cyclohexane, cyclohexadiene and central cyclooctane rings show chair, half-chair and boat-chair forms, respectively. As a result of the strained ring system, the tetrasubsituted olefin in the cyclohexadiene is skewed from an ideal planar structure. In the crystal, C - H⋯O hydrogen bonds connect the molecules into a sheet parallel to (100). The sheets are further linked by other weak C - H⋯O and C - H⋯π interactions, forming a three-dimensional network.
AB - In the title compound, C36H42O8, the dioxolane ring adopts a twist conformation; the two adjacent C atoms deviate alternately from the mean plane of other atoms by - 0.287 (5) and 0.174 (5) Å. The cyclohexane, cyclohexadiene and central cyclooctane rings show chair, half-chair and boat-chair forms, respectively. As a result of the strained ring system, the tetrasubsituted olefin in the cyclohexadiene is skewed from an ideal planar structure. In the crystal, C - H⋯O hydrogen bonds connect the molecules into a sheet parallel to (100). The sheets are further linked by other weak C - H⋯O and C - H⋯π interactions, forming a three-dimensional network.
KW - C - H⋯π interactions
KW - Crystal structure
KW - Hydrogen bonding
KW - Hydrogen bonds
KW - Paclitaxel
KW - Taxane skeleton
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U2 - 10.1107/S2056989015007136
DO - 10.1107/S2056989015007136
M3 - Article
AN - SCOPUS:84928168475
SN - 1600-5368
VL - 71
SP - 490
EP - 493
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
IS - 5
ER -