Information card for entry 7058165

Structure parameters

• Formula: C47 H37 B F2 N2
• Calculated formula: C47 H37 B F2 N2
• Title of publication: BODIPY‒ortho-carborane‒tetraphenylethylene triad: synthesis, characterization, and properties
• Authors of publication: Nar, Ilgın; Atsay, Armağan; Buyruk, Ali; Pekbelgin Karaoğlu, Hande; Burat, Ayfer Kalkan; Hamuryudan, Esin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 11
• Pages of publication: 4471
• a: 8.4917 ± 0.0009 Å
• b: 10.9196 ± 0.0011 Å
• c: 20.148 ± 0.002 Å
• α: 80.996 ± 0.003°
• β: 83.209 ± 0.003°
• γ: 76.283 ± 0.003°
• Cell volume: 1786.2 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No