Information card for entry 7153931

Structure parameters

• Formula: C22 H14 N2
• Calculated formula: C22 H14 N2
• SMILES: [nH]1c2c3[nH]c4ccccc4c3c3ccccc3c2c2ccccc12
• Title of publication: Balanced π-π interactions directing the self-assembly of indolocarbazole-based low molecular mass organogelators.
• Authors of publication: Gong, Peng; Xue, Pengchong; Qian, Chong; Zhang, Zhenqi; Lu, Ran
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 32
• Pages of publication: 6134 - 6144
• a: 9.1083 ± 0.0018 Å
• b: 9.872 ± 0.002 Å
• c: 16.583 ± 0.003 Å
• α: 90°
• β: 101.24 ± 0.03°
• γ: 90°
• Cell volume: 1462.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.081
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No