Information card for entry 2224610

Structure parameters

• Chemical name: 9-Hexyl-3-iodo-9<i>H</i>-carbazole
• Formula: C18 H20 I N
• Calculated formula: C18 H20 I N
• SMILES: Ic1ccc2n(c3ccccc3c2c1)CCCCCC
• Title of publication: 9-Hexyl-3-iodo-9<i>H</i>-carbazole
• Authors of publication: Geng, Wen-Qian; Xu, Guo-Yi; Zhou, Hong-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o230
• a: 10.7105 ± 0.0002 Å
• b: 4.6816 ± 0.001 Å
• c: 33.9661 ± 0.0018 Å
• α: 90°
• β: 105.106 ± 0.008°
• γ: 90°
• Cell volume: 1644.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0558
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes