Information card for entry 2243595

Structure parameters

• Chemical name: Tris[4-(naphthalen-1-yl)phenyl]amine
• Formula: C48 H33 N
• Calculated formula: C48 H33 N
• SMILES: N(c1ccc(cc1)c1cccc2ccccc12)(c1ccc(cc1)c1cccc2ccccc12)c1ccc(cc1)c1cccc2ccccc12
• Title of publication: Crystal structure of tris[4-(naphthalen-1-yl)phenyl]amine
• Authors of publication: Yano, Masafumi; Kashiwagi, Yukiyasu; Inada, Yoshinori; Hayashi, Yuki; Mitsudo, Koichi; Kubono, Koji
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 10
• Pages of publication: 1649 - 1652
• a: 10.0952 ± 0.0004 Å
• b: 13.0135 ± 0.0006 Å
• c: 13.5643 ± 0.0005 Å
• α: 74.429 ± 0.005°
• β: 75.671 ± 0.005°
• γ: 78.309 ± 0.006°
• Cell volume: 1645.39 ± 0.13 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0776
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes