Information card for entry 7109476

Structure parameters

• Formula: C24 H27 N O3 Si
• Calculated formula: C24 H27 N O3 Si
• SMILES: [Si](Oc1ccc(C2=C(O)C(=O)CC32C=Nc2c3cccc2)cc1)(C)(C)C(C)(C)C
• Title of publication: Biomimetic total syntheses of spirobacillenes A and B
• Authors of publication: Hongzhi Yang; Juan Feng; Yefeng Tang
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6442
• a: 11.284 ± 0.003 Å
• b: 14.658 ± 0.003 Å
• c: 27.222 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4502.5 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0594
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.274
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No