Information card for entry 2211999

Structure parameters

• Chemical name: Ethyl 7-oxo-7H-indeno[2',1':3,4]pyrrolo[2,1-a]quinoline-12-carboxylate
• Formula: C22 H15 N O3
• Calculated formula: C22 H15 N O3
• SMILES: O(CC)C(=O)c1n2c(c3c1c1ccccc1C3=O)ccc1ccccc21
• Title of publication: Ethyl 7-oxo-7<i>H</i>-indeno[2',1':3,4]pyrrolo[2,1-<i>a</i>]quinoline-12-carboxylate
• Authors of publication: Yun Liu; Zhe Li; Yong-Miao Shen; Ye Zhang; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o759 - o760
• a: 7.521 ± 0.0015 Å
• b: 9.456 ± 0.0019 Å
• c: 12.411 ± 0.003 Å
• α: 99.33 ± 0.03°
• β: 98.15 ± 0.03°
• γ: 108.13 ± 0.03°
• Cell volume: 810.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 288 ± 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: 0.087
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes