Information card for entry 7025858

Structure parameters

• Formula: C10 H8 B Cl N2
• Calculated formula: C10 H8 B Cl N2
• SMILES: B1(N2C(=C3N1C=CC=C3)C=CC=C2)Cl
• 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: 3.8403 ± 0.0001 Å
• b: 14.0971 ± 0.0004 Å
• c: 16.92 ± 0.0005 Å
• α: 90°
• β: 90.269 ± 0.002°
• γ: 90°
• Cell volume: 915.99 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0368
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No