Information card for entry 7116819

Structure parameters

• Formula: C32 H24 B2 N2
• Calculated formula: C32 H24 B2 N2
• SMILES: N12N(c3ccccc3B2c2ccccc2)B(C(=C1c1ccccc1)c1ccccc1)c1ccccc1
• 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: 9.938 ± 0.002 Å
• b: 15.052 ± 0.003 Å
• c: 16.599 ± 0.003 Å
• α: 90°
• β: 94.82 ± 0.03°
• γ: 90°
• Cell volume: 2474.2 ± 0.8 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No