Information card for entry 7008545

Structure parameters

• Formula: C14 H31 B10 N
• Calculated formula: C14 H31 B10 N
• SMILES: N(CC[C]1234[C]567(C(C)(C)C8=CCC=C8)[BH]891[BH]1%105[BH]5%116[BH]627[BH]273[BH]348[BH]491[BH]1%105[BH]%1162[BH]7341)(C)C
• Title of publication: Synthesis and structural characterization of mono- and bisfunctional o-carboranes.
• Authors of publication: Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 14
• Pages of publication: 2375 - 2381
• a: 9.3902 ± 0.0008 Å
• b: 10.6277 ± 0.0009 Å
• c: 11.5729 ± 0.001 Å
• α: 81.826 ± 0.002°
• β: 72.449 ± 0.002°
• γ: 65.19 ± 0.002°
• Cell volume: 999.37 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1069
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1985
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No