Information card for entry 7157256

Structure parameters

• Chemical name: C17H15NO2
• Formula: C17 H15 N O2
• Calculated formula: C17 H15 N O2
• Title of publication: Synthesis of substituted benzo[b][1,4]oxazepine derivatives by the reaction of 2-aminophenols with alkynones.
• Authors of publication: Oshimoto, Kohei; Zhou, Biao; Tsuji, Hiroaki; Kawatsura, Motoi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 3
• Pages of publication: 415 - 419
• a: 8.6977 ± 0.0004 Å
• b: 14.9757 ± 0.0006 Å
• c: 10.6125 ± 0.0005 Å
• α: 90°
• β: 101.554 ± 0.005°
• γ: 90°
• Cell volume: 1354.31 ± 0.11 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• 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: 0.0606
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No