Information card for entry 4113878

Structure parameters

• Chemical name: 9-hydroxy-3-isopropenyl-8,14-dimethyl-2-(triethyl-silanyloxy)- 2,6,7,8,9,11,12,13,14,17-decahydro-3H,5H-4,16-dioxa-cyclopenta[a]phenanthren- 15-one
• Formula: C26 H42 O5 Si
• Calculated formula: C24.5 H27 O5 Si
• Title of publication: Tremorgenic Indole Alkaloids. The Total Synthesis of (-)-Penitrem D
• Authors of publication: Amos B. Smith; Naoki Kanoh; Haruaki Ishiyama; Noriaki Minakawa; Jon D. Rainier; Richard A. Hartz; Young Shin Cho; Haifeng Cui; William H. Moser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 8228 - 8237
• a: 9.9086 ± 0.0004 Å
• b: 12.8372 ± 0.0006 Å
• c: 42.2856 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5378.7 ± 0.4 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.093
• Weighted residual factors for all reflections: 0.2657
• Weighted residual factors for significantly intense reflections: 0.2538
• Goodness-of-fit parameter for all reflections: 1.07
• Goodness-of-fit parameter for significantly intense reflections: 1.087
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No