Information card for entry 1519334

Structure parameters

• Formula: C18 H26 N2 O Si
• Calculated formula: C18 H26 N2 O Si
• SMILES: [Si]([C@@]12[C@]3(CN(N[C@]3(CC1)C)C(=O)c1ccccc1)C2)(C)(C)C.[Si]([C@]12[C@@]3(CN(N[C@@]3(CC1)C)C(=O)c1ccccc1)C2)(C)(C)C
• Title of publication: (3a-Methyl-1a-trimethylsilanyl-hexahydro-4,5-diaza-cyclopropa[c]pentalen-5-yl) -phenyl-methanone
• Authors of publication: Gelbrich, Thomas; Patient, Lee; Hursthouse, Michael B.; Kilburn, Jeremy D.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 532
• a: 21.2704 ± 0.0008 Å
• b: 7.5887 ± 0.0002 Å
• c: 11.2915 ± 0.0003 Å
• α: 90°
• β: 102.234 ± 0.001°
• γ: 90°
• Cell volume: 1781.22 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No