Information card for entry 4037500

Structure parameters

• Formula: C50 H18 B2 Cl6 F20 N2 O2
• Calculated formula: C50 H18 B2 Cl6 F20 N2 O2
• Title of publication: Highly Fluorescent Red-Light Emitting Bis(boranils) Based on Naphthalene Backbone.
• Authors of publication: Urban, Mateusz; Durka, Krzysztof; Jankowski, Piotr; Serwatowski, Janusz; Luliński, Sergiusz
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 15
• Pages of publication: 8234 - 8241
• a: 14.8183 ± 0.0013 Å
• b: 11.2475 ± 0.0002 Å
• c: 15.815 ± 0.003 Å
• α: 90°
• β: 105.57 ± 0.02°
• γ: 90°
• Cell volume: 2539.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No