Information card for entry 7227290

Structure parameters

• Formula: C32 H23 N
• Calculated formula: C32 H23 N
• SMILES: c1(cc2c(c3c1cccc3)cccc2)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: 7.66 ± 0.0005 Å
• b: 14.3344 ± 0.001 Å
• c: 21.738 ± 0.0015 Å
• α: 87.427 ± 0.003°
• β: 83.718 ± 0.003°
• γ: 75.715 ± 0.003°
• Cell volume: 2298.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No