Information card for entry 4088261

Structure parameters

• Formula: C16 H17 B N3 O
• Calculated formula: C16 H17 B N3 O
• Title of publication: Intramolecular Hydride Transfer Reactions in (Formazanate)Boron Dihydride Complexes
• Authors of publication: Chang, Mu-Chieh; Otten, Edwin
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 4
• Pages of publication: 534
• a: 12.2629 ± 0.0005 Å
• b: 19.8344 ± 0.0009 Å
• c: 14.5639 ± 0.0008 Å
• α: 90°
• β: 113.085 ± 0.0013°
• γ: 90°
• Cell volume: 3258.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1548
• 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