Information card for entry 7227291

Structure parameters

• Formula: C34 H23 N
• Calculated formula: C34 H23 N
• SMILES: c1(ccc2ccc3cccc4ccc1c2c34)c1ccc(cc1)N(c1ccccc1)c1ccccc1
• Title of publication: Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties
• Authors of publication: Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 817
• a: 18.1949 ± 0.0008 Å
• b: 10.7188 ± 0.0003 Å
• c: 12.2321 ± 0.0005 Å
• α: 90°
• β: 95.895 ± 0.002°
• γ: 90°
• Cell volume: 2372.98 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0595
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No