Information card for entry 7121382

Structure parameters

• Common name: 1PhEt3PO
• Formula: C40 H40 B O P
• Calculated formula: C40 H40 B O P
• 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: 9.0948 ± 0.0003 Å
• b: 36.1717 ± 0.0013 Å
• c: 10.2433 ± 0.0004 Å
• α: 90°
• β: 110.991 ± 0.002°
• γ: 90°
• Cell volume: 3146.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0718
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No