Information card for entry 7119376

Structure parameters

• Formula: C25 H19 N O2
• Calculated formula: C25 H19 N O2
• SMILES: C1(=O)C=CC(=O)c2c1cc(c1c(C)cc(C)cc1C)c1c2[nH]c2c1cccc2
• 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: 37.27 ± 0.02 Å
• b: 7.992 ± 0.005 Å
• c: 12.774 ± 0.007 Å
• α: 90°
• β: 91.797 ± 0.012°
• γ: 90°
• Cell volume: 3803 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2953
• Residual factor for significantly intense reflections: 0.1225
• Weighted residual factors for significantly intense reflections: 0.1931
• Weighted residual factors for all reflections included in the refinement: 0.2624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No