Information card for entry 4113882

Structure parameters

• Formula: C40 H53 N O3 Si
• Calculated formula: C40 H57 N O3 Si
• SMILES: [Si](OC[C@H]1Cc2ccc3[nH]c4c5c3c2[C@@H]2[C@@H](C(O[C@H]5[C@H]3[C@]4([C@]4(CCC(=O)C=C4CC3)C)C)(C)C)C[C@H]12)(C(C)C)(C(C)C)C(C)C
• 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: 10.9982 ± 0.0005 Å
• b: 10.2218 ± 0.0006 Å
• c: 17.0659 ± 0.0011 Å
• α: 90°
• β: 104.751 ± 0.002°
• γ: 90°
• Cell volume: 1855.34 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections: 0.1428
• Weighted residual factors for significantly intense reflections: 0.1339
• Goodness-of-fit parameter for all reflections: 1.175
• Goodness-of-fit parameter for significantly intense reflections: 1.212
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No