Information card for entry 2020277

Structure parameters

• Chemical name: 1''-Acetyl-1-benzyl-5'-(4-chlorophenyl)-4'-phenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-2,2''-dione
• Formula: C39 H29 Cl N2 O4
• Calculated formula: C39 H29 Cl N2 O4
• SMILES: c12ccccc1[C@]1(C(=O)N2Cc2ccccc2)[C@]2([C@H]([C@H](c3ccc(cc3)Cl)O1)c1ccccc1)c1ccccc1N(C2=O)C(=O)C.c12ccccc1[C@@]1(C(=O)N2Cc2ccccc2)[C@@]2([C@@H]([C@@H](c3ccc(cc3)Cl)O1)c1ccccc1)c1ccccc1N(C2=O)C(=O)C
• Title of publication: Structural consequences of weak interactions in dispirooxindole derivatives
• Authors of publication: Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• a: 11.983 ± 0.0005 Å
• b: 12.926 ± 0.0006 Å
• c: 21.5664 ± 0.001 Å
• α: 76.33 ± 0.001°
• β: 76.522 ± 0.001°
• γ: 77.553 ± 0.001°
• Cell volume: 3110.6 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1184
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No