Information card for entry 7227292

Structure parameters

• Formula: C38 H25 N
• Calculated formula: C38 H25 N
• SMILES: c1ccc2c3c1cccc3c1ccc(c3cccc2c13)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: 20.863 ± 0.003 Å
• b: 10.6106 ± 0.0016 Å
• c: 11.6041 ± 0.0013 Å
• α: 90°
• β: 93.835 ± 0.005°
• γ: 90°
• Cell volume: 2563 ± 0.6 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: 0.1754
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No