Information card for entry 7234772

Structure parameters

• Formula: C33 H18 B F2 N3 O3
• Calculated formula: C33 H18 B F2 N3 O3
• Title of publication: Chiral binaphthyl-linked BODIPY analogues: synthesis and spectroscopic properties
• Authors of publication: Yanping Wu; Sisi Wang; Zhifang Li; Zhen Shen; Hua Lu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 4668 - 4674
• a: 11.4915 ± 0.0012 Å
• b: 14.5392 ± 0.0016 Å
• c: 15.7532 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2632 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No