Information card for entry 7225876

Structure parameters

• Chemical name: 2-(tert-Butyl)-4,5,9,10-tetrakis(4-(diphenylamino)phenyl)quinolizino[3,4,5,6-ija]quinolin-11-ium tetrafluoroborate
• Formula: C91 H70 B F4 N5
• Calculated formula: C91 H70 B F4 N5
• Title of publication: A Facile Access to Substituted Cationic 12-Azapyrene Salts by Rhodium(III)-Catalyzed C–H Annulation of N-Arylpyridinium Salts
• Authors of publication: Feng, Boya; Wan, Danyang; Yan, Lipeng; Kadam, Vilas D.; You, Jingsong; Gao, Ge
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.9314 ± 0.0005 Å
• b: 15.0022 ± 0.0004 Å
• c: 44.741 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8679.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.2271
• Weighted residual factors for all reflections included in the refinement: 0.2447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No