Information card for entry 7159457

Structure parameters

• Formula: C24 H26 B F2 N3
• Calculated formula: C24 H26 B F2 N3
• SMILES: F[B]1(F)[n]2ncccc2c2c3n1c1ccc(cc1c3cc(c2)C(C)(C)C)C(C)(C)C
• Title of publication: A series of boron difluoride complexes of azinylcarbazoles: synthesis and structure-property relationships.
• Authors of publication: Yamamoto, Koji; Matsui, Shun; Kato, Shin-Ichiro; Nakamura, Yosuke
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 26
• Pages of publication: 5398 - 5405
• a: 16.1855 ± 0.0003 Å
• b: 11.2431 ± 0.0002 Å
• c: 11.9494 ± 0.0002 Å
• α: 90°
• β: 109.172 ± 0.002°
• γ: 90°
• Cell volume: 2053.89 ± 0.07 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No