Information card for entry 7121381

Structure parameters

• Common name: 10Ph
• Formula: C28 H28 B N
• Calculated formula: C28 H28 B N
• Title of publication: Intermolecular Insertion Reactions of Azides Into 9-Borafluorenes to Generate 9,10-B,N-Phenanthrenes
• Authors of publication: Yruegas, Sam; Martinez, Jesse J.; Martin, Caleb Daniel
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 15.8892 ± 0.0014 Å
• b: 12.4193 ± 0.001 Å
• c: 11.0719 ± 0.0009 Å
• α: 90°
• β: 104.771 ± 0.003°
• γ: 90°
• Cell volume: 2112.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1114
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No