Information card for entry 1562181

Structure parameters

• Chemical name: 9-[3-(9<i>H</i>-Carbazol-9-yl)-5-iodophenyl]-9<i>H</i>-carbazole
• Formula: C30 H19 I N2
• Calculated formula: C30 H19 I N2
• SMILES: c1(cc(cc(c1)n1c2ccccc2c2ccccc12)n1c2ccccc2c2ccccc12)I
• Title of publication: 9-[3-(9<i>H</i>-Carbazol-9-yl)-5-iodophenyl]-9<i>H</i>-carbazole
• Authors of publication: Yan, Dan
• Journal of publication: IUCrData
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 4
• Pages of publication: x210428
• a: 9.5057 ± 0.0004 Å
• b: 29.3757 ± 0.0017 Å
• c: 16.5679 ± 0.0008 Å
• α: 90°
• β: 96.127 ± 0.002°
• γ: 90°
• Cell volume: 4599.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes