Information card for entry 7121379

Structure parameters

• Common name: 8Ph
• Formula: C24 H18 B N
• Calculated formula: C24 H18 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: 26.7935 ± 0.0017 Å
• b: 26.7935 ± 0.0017 Å
• c: 9.9207 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7122 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1635
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.2014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No