Information card for entry 4123546

Structure parameters

• Formula: C21 H32 O2 Si
• Calculated formula: C21 H32 O2 Si
• SMILES: C1[C@H]([C@@]23[C@@H]([C@H]([C@@](C=C2)(CC3)C)CCC2=CC(=O)CC2)[Si](C)(C)O1)C
• Title of publication: The daphniphyllum alkaloids: total synthesis of (-)-calyciphylline N.
• Authors of publication: Shvartsbart, Artem; Smith, 3rd, Amos B
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 10
• Pages of publication: 3510 - 3519
• a: 6.3483 ± 0.0004 Å
• b: 8.5872 ± 0.0005 Å
• c: 35.965 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1960.6 ± 0.2 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No