Information card for entry 2230892

Structure parameters

• Chemical name: 12-Chloro-6-cyclohexyl-5,6,7,12- tetrahydrodibenzo[<i>c</i>,</i>f</i>][1,5]azastibocine
• Formula: C20 H23 Cl N Sb
• Calculated formula: C20 H23 Cl N Sb
• SMILES: [Sb]12(Cl)[N](Cc3c1cccc3)(Cc1c2cccc1)C1CCCCC1
• Title of publication: 12-Chloro-6-cyclohexyl-5,6,7,12-tetrahydrodibenzo[<i>c</i>,<i>f</i>][1,5]azastibocine
• Authors of publication: Yi, Weiguo; Tan, Nianyuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m917
• a: 10.0771 ± 0.0007 Å
• b: 16.2881 ± 0.0012 Å
• c: 12.204 ± 0.0009 Å
• α: 90°
• β: 111.812 ± 0.001°
• γ: 90°
• Cell volume: 1859.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes