Information card for entry 2238257

Structure parameters

• Chemical name: Ethyl 8''-chloro-1'-methyl-2,12''-dioxo-12''<i>H</i>-dispiro[indoline-3,2'-pyrrolidine-3',6''-indolo[2,1-<i>b</i>]quinazoline]-4'-carboxylate
• Formula: C29 H23 Cl N4 O4
• Calculated formula: C29 H23 Cl N4 O4
• SMILES: c1(ccc2c(c1)[C@]1(c3nc4c(c(=O)n23)cccc4)[C@@H](CN(C)[C@]21C(=O)Nc1c2cccc1)C(=O)OCC)Cl.c1(ccc2c(c1)[C@@]1(c3nc4c(c(=O)n23)cccc4)[C@H](CN(C)[C@@]21C(=O)Nc1c2cccc1)C(=O)OCC)Cl
• Title of publication: Ethyl 8''-chloro-1'-methyl-2,12''-dioxo-12''<i>H</i>-dispiro[indoline-3,2'-pyrrolidine- 3',6''-indolo[2,1-<i>b</i>]quinazoline]-4'-carboxylate
• Authors of publication: Kannan, Piskala Subburaman; Lanka, Srinu; Thennarasu, Sathiah; Govindan, E.; SubbiahPandi, Arunachalathevar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1062 - o1063
• a: 8.9341 ± 0.0009 Å
• b: 11.7697 ± 0.0012 Å
• c: 13.3828 ± 0.0014 Å
• α: 72.776 ± 0.005°
• β: 89.574 ± 0.005°
• γ: 74.995 ± 0.005°
• Cell volume: 1294.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes