Information card for entry 4315563

Structure parameters

• Formula: C17 H13 B N4
• Calculated formula: C17 H13 B N4
• SMILES: N(=N#N)[B]1([n]2ccccc2)c2c(c3ccccc13)cccc2
• Title of publication: Synthesis and Structural Characterization of 9-Azido-9-Borafluorene: Monomer and Cyclotrimer of a Borole Azide
• Authors of publication: Sunanda Biswas; Iris M. Oppel; Holger F. Bettinger
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4499 - 4506
• a: 9.7657 ± 0.0003 Å
• b: 17.5892 ± 0.0008 Å
• c: 18.4303 ± 0.0009 Å
• α: 68.734 ± 0.004°
• β: 89.62 ± 0.003°
• γ: 81.217 ± 0.003°
• Cell volume: 2911.5 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 0.819
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No