Information card for entry 7121383

Structure parameters

• Common name: 3PhEt3PO
• Formula: C48 H56 B2 O2 P2
• Calculated formula: C48 H56 B2 O2 P2
• 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: 9.8145 ± 0.0009 Å
• b: 15.5763 ± 0.0015 Å
• c: 13.7943 ± 0.0013 Å
• α: 90°
• β: 90.023 ± 0.003°
• γ: 90°
• Cell volume: 2108.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No