Information card for entry 7154307

Structure parameters

• Formula: C53 H46 B2 N2 O3
• Calculated formula: C53 H46 B2 N2 O3
• Title of publication: Tuning of the colour and chemical stability of model boranils: a strong effect of structural modifications.
• Authors of publication: Wesela-Bauman, Grzegorz; Urban, Mateusz; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 3268 - 3279
• a: 26.7092 ± 0.0014 Å
• b: 9.0357 ± 0.0004 Å
• c: 17.2708 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4168.1 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections: 0.1695
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No