Information card for entry 1548700

Structure parameters

• Formula: C14 H19 B10 N
• Calculated formula: C14 H19 B10 N
• SMILES: N1([C]2345[C]678(c9c1cccc9)[BH]192[BH]2%106[BH]6%117[BH]738[BH]38%11[BH]%11%106[BH]692[BH]241[BH]573[BH]8%1162)c1ccccc1
• Title of publication: Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.
• Authors of publication: Chan, Tek Long; Xie, Zuowei
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 2284 - 2289
• a: 8.9977 ± 0.0004 Å
• b: 9.8055 ± 0.0005 Å
• c: 11.2475 ± 0.0007 Å
• α: 87.61 ± 0.002°
• β: 66.4692 ± 0.0016°
• γ: 73.9029 ± 0.0015°
• Cell volume: 871.46 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0928
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.2005
• Weighted residual factors for all reflections included in the refinement: 0.2136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No