Information card for entry 4027540

Structure parameters

• Formula: C27 H22 N2 O3
• Calculated formula: C27 H22 N2 O3
• SMILES: O=N(=O)c1ccccc1/C=C\1C(=O)CCCC1c1c2ccccc2[nH]c1c1ccccc1
• Title of publication: Synthesis of Indolylquinolines, Indolylacridines, and Indolylcyclopenta[b]quinolines from the Baylis-Hillman Adducts: An in Situ [1,3]-Sigmatropic Rearrangement of an Indole Nucleus To Access Indolylacridines and Indolylcyclopenta[b]quinolines
• Authors of publication: Chintakunta Ramesh; Po-Min Lei; Donala Janreddy; Veerababurao Kavala; Chun-Wei Kuo; Ching-Fa Yao
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 8451 - 8464
• a: 9.4871 ± 0.0004 Å
• b: 16.6809 ± 0.0007 Å
• c: 14.2027 ± 0.0008 Å
• α: 90°
• β: 103.861 ± 0.002°
• γ: 90°
• Cell volume: 2182.17 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1308
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1807
• Weighted residual factors for all reflections included in the refinement: 0.2193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No