Information card for entry 2241801

Structure parameters

• Chemical name: Methyl 3'-benzamido-4'-(4-methoxyphenyl)-1'-methylspiro[indeno[1,2-<i>b</i>]quinoxaline-11,2'-pyrrolidine]-3'-carboxylate
• Formula: C35 H30 N4 O3
• Calculated formula: C35 H30 N4 O3
• SMILES: O=C(N[C@]1([C@]2(N(C[C@H]1c1ccc(cc1)C)C)c1nc3c(nc1c1c2cccc1)cccc3)C(=O)OC)c1ccccc1.O=C(N[C@@]1([C@@]2(N(C[C@@H]1c1ccc(cc1)C)C)c1nc3c(nc1c1c2cccc1)cccc3)C(=O)OC)c1ccccc1
• Title of publication: Crystal structure of methyl 3'-benzamido-4'-(4-methoxyphenyl)-1'-methylspiro[indeno[1,2-<i>b</i>]quinoxaline-11,2'-pyrrolidine]-3'-carboxylate
• Authors of publication: Chandralekha, Kuppan; Sureshbabu, Adukamparai Rajukrishnan; Gavaskar, Deivasigamani; Lakshmi, Srinivasakannan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 9
• Pages of publication: 1257 - 1259
• a: 10.1194 ± 0.0004 Å
• b: 10.8066 ± 0.0004 Å
• c: 14.9948 ± 0.0006 Å
• α: 110.57 ± 0.02°
• β: 97.1 ± 0.02°
• γ: 106.17 ± 0.02°
• Cell volume: 1429.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0999
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes