Information card for entry 7119375

Structure parameters

• Formula: C20 H15 N O3
• Calculated formula: C20 H15 N O3
• SMILES: C1(=O)C=CC(=O)c2c1c(C(=O)C)cc1c2[nH]c2c1cccc2CC
• Title of publication: Synthesis of benzo[a]carbazole derivatives from 3-ethylindoles by exploiting the dual character of benzoquinone as an oxidizing agent and dienophile
• Authors of publication: Chun-Wei; Kuo; Ashok; Konala; Lyu; Lin; Ting-Ta; Chiang; Chia-Yu; Huang; Tang-Hao; Yang; Veerababurao; Kavala; Ching-Fa; Yao
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7870
• a: 5.5517 ± 0.0018 Å
• b: 11.006 ± 0.004 Å
• c: 24.121 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1473.8 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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 all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No