Information card for entry 7025859

Structure parameters

• Formula: C16 H13 B N2
• Calculated formula: C16 H13 B N2
• SMILES: B1(N2C(=C3N1C=CC=C3)C=CC=C2)c1ccccc1
• Title of publication: Boron‒nitrogen analogues of the fluorenyl anion
• Authors of publication: Mansell, Stephen M.; Norman, Nicholas C.; Russell, Christopher A.
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 21
• Pages of publication: 5084
• a: 20.144 ± 0.002 Å
• b: 17.323 ± 0.0019 Å
• c: 7.1036 ± 0.0007 Å
• α: 90°
• β: 93.577 ± 0.002°
• γ: 90°
• Cell volume: 2474 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0708
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No