Information card for entry 7027793

Structure parameters

• Formula: C13 H19 B N4
• Calculated formula: C13 H19 B N4
• SMILES: B1(N=N#N)([n]2ccccc2)C2CCCC1CCC2
• Title of publication: Synthesis and characterization of new azido(o-phenylenedioxy)boranes and azidobicyclononylboranes †
• Authors of publication: Fraenk, Wolfgang; Habereder, Tassilo; Klapötke, Thomas M.; Nöth, Heinrich; Polborn, Kurt
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 23
• Pages of publication: 4283
• a: 7.793 ± 0.002 Å
• b: 11.786 ± 0.004 Å
• c: 14.763 ± 0.006 Å
• α: 90 ± 0.03°
• β: 103.65 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 1317.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0909
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections: 0.1205
• Weighted residual factors for significantly intense reflections: 0.1006
• Goodness-of-fit parameter for all reflections: 1.118
• Goodness-of-fit parameter for significantly intense reflections: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No