Information card for entry 7058325

Structure parameters

• Common name: BF2-BrDHDP
• Formula: C15 H18 B Br F2 N2 O2
• Calculated formula: C15 H18 B Br F2 N2 O2
• Title of publication: New molecular design for blue BODIPYs
• Authors of publication: Wu, Zhiyuan; Fujita, Hikaru; Magdaong, Nikki Cecil M.; Diers, James R.; Hood, Don; Allu, Srinivasarao; Niedzwiedzki, Dariusz M.; Kirmaier, Christine; Bocian, David F.; Holten, Dewey; Lindsey, Jonathan S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 19
• Pages of publication: 7233
• a: 7.1235 ± 0.0002 Å
• b: 11.0063 ± 0.0003 Å
• c: 11.5158 ± 0.0003 Å
• α: 66.4695 ± 0.0011°
• β: 84.027 ± 0.0012°
• γ: 83.5531 ± 0.0013°
• Cell volume: 820.83 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No