Information card for entry 1508877

Structure parameters

• Formula: C16 H12 N2 O3
• Calculated formula: C16 H12 N2 O3
• SMILES: COc1ccc(cc1)C(=O)c1[nH]c(=O)c2c(cccc2)n1
• Title of publication: Direct One-Pot Synthesis of Luotonin F and Analogues via Rational Logical Design.
• Authors of publication: Zhu, Yan-Ping; Fei, Zhuan; Liu, Mei-Cai; Jia, Feng-Cheng; Wu, An-Xin
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 378 - 381
• a: 6.9631 ± 0.0019 Å
• b: 9.251 ± 0.003 Å
• c: 11.149 ± 0.003 Å
• α: 82.052 ± 0.004°
• β: 85.96 ± 0.004°
• γ: 68.329 ± 0.004°
• Cell volume: 660.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No