Information card for entry 2208762

Structure parameters

• Chemical name: N-(2',7'-Di-tert-butyl-9,9'-spirobifluoren-2-yl)aniline
• Formula: C39 H37 N
• Calculated formula: C39 H37 N
• SMILES: N(c1ccc2c3c(C4(c5cc(ccc5c5c4cc(cc5)C(C)(C)C)C(C)(C)C)c2c1)cccc3)c1ccccc1
• Title of publication: <i>N</i>-(2',7'-Di-<i>tert</i>-butyl-9,9'-spirobifluoren-2-yl)aniline
• Authors of publication: Huang, Ping-Hsin; Shen, Jiun-Yi; Huang, Tai-Hsiang; Wen, Yuh-Sheng; Lu, Kwa-Nan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1358 - o1359
• a: 43.971 ± 0.003 Å
• b: 11.0785 ± 0.0007 Å
• c: 27.6079 ± 0.0016 Å
• α: 90°
• β: 120.042 ± 0.003°
• γ: 90°
• Cell volume: 11642 ± 1.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes