Information card for entry 7219033

Structure parameters

• Formula: C41 H38 N2 O8
• Calculated formula: C41 H38 N2 O8
• SMILES: c1ccccc1CN1C(=O)[C@@]2(c3ccccc13)[C@H](C(=O)OCC)C([C@H]([C@]12C(=O)N(Cc2ccccc2)c2c1cccc2)C(=O)OCC)C(=O)OC.c1ccccc1CN1C(=O)[C@]2(c3ccccc13)[C@@H](C(=O)OCC)C([C@@H]([C@@]12C(=O)N(Cc2ccccc2)c2c1cccc2)C(=O)OCC)C(=O)OC
• Title of publication: Construction of dispirocyclohexyl-3,3’-bisoxindole and dispirocyclopentyl-3,3’-bisoxindole via cycloaddition reactions of N-benzylbenzimidazolium salts with 2-(2-oxoindolin-3-ylidene)acetates†
• Authors of publication: Yan, Chao Guo; Sun, Jing; Shen, Guo-Liang
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 10.74 ± 0.003 Å
• b: 12.889 ± 0.003 Å
• c: 15.381 ± 0.004 Å
• α: 68.745 ± 0.003°
• β: 87.06 ± 0.003°
• γ: 70.391 ± 0.003°
• Cell volume: 1863.2 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0933
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.2365
• Weighted residual factors for all reflections included in the refinement: 0.2499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No