Information card for entry 7116820

Structure parameters

• Formula: C24 H18 B2 N2 S
• Calculated formula: C24 H18 B2 N2 S
• Title of publication: Multiple C-H borylation of phenylhydrazones to boron-nitrogen analogues of benzopentalene
• Authors of publication: Cong Ma; Jianying Zhang; Jianfeng Li; Chunming Cui
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 5732
• a: 9.492 ± 0.0019 Å
• b: 10.356 ± 0.002 Å
• c: 10.494 ± 0.002 Å
• α: 76.69 ± 0.03°
• β: 80.05 ± 0.03°
• γ: 77.48 ± 0.03°
• Cell volume: 971.7 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1016
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No