Information card for entry 1507743

Structure parameters

• Formula: C15 H13 N O2
• Calculated formula: C15 H13 N O2
• SMILES: O=C1Nc2c(c3c(C1)cccc3)cccc2OC
• Title of publication: KO(t)Bu Mediated Synthesis of Phenanthridinones and Dibenzoazepinones.
• Authors of publication: Bhakuni, Bhagat Singh; Kumar, Amit; Balkrishna, Shah Jaimin; Sheikh, Javeed Ahmed; Konar, Sanjit; Kumar, Sangit
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 2838 - 2841
• a: 13.3427 ± 0.0007 Å
• b: 12.7932 ± 0.0006 Å
• c: 14.2313 ± 0.0007 Å
• α: 90°
• β: 98.272 ± 0.004°
• γ: 90°
• Cell volume: 2404 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1509
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No