Information card for entry 1504927

Structure parameters

• Formula: C16 H15 N O
• Calculated formula: C16 H15 N O
• SMILES: O=C1N(c2c(c3c(cccc3)C1)c(ccc2)C)C
• Title of publication: Atropisomeric properties of the dibenzo[b,d]azepin-6-one nucleus.
• Authors of publication: Tabata, Hidetsugu; Akiba, Kumi; Lee, Shoukou; Takahashi, Hideyo; Natsugari, Hideaki
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 21
• Pages of publication: 4871 - 4874
• a: 8.04449 ± 0.00015 Å
• b: 8.25073 ± 0.00015 Å
• c: 18.716 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1242.24 ± 0.04 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 0.715
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No