Information card for entry 7058324

Structure parameters

• Common name: BBu2-HDHDP
• Formula: C23 H37 B N2 O2
• Calculated formula: C23 H37 B 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: 11.8186 ± 0.0002 Å
• b: 9.1192 ± 0.0002 Å
• c: 22.4535 ± 0.0005 Å
• α: 90°
• β: 103.951 ± 0.0008°
• γ: 90°
• Cell volume: 2348.57 ± 0.08 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0561
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No