Information card for entry 7219035

Structure parameters

• Formula: C42 H38 F2 N2 O8
• Calculated formula: C42 H38 F2 N2 O8
• SMILES: c1ccccc1CN1C(=O)[C@]2(c3cc(ccc13)F)[C@@H](C(=O)OCC)C([C@@H]([C@@]12C(=O)N(Cc2ccccc2)c2c1cc(cc2)F)C(=O)OCC)C(=O)OCC.c1ccccc1CN1C(=O)[C@@]2(c3cc(ccc13)F)[C@H](C(=O)OCC)C([C@H]([C@]12C(=O)N(Cc2ccccc2)c2c1cc(cc2)F)C(=O)OCC)C(=O)OCC
• 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: 10.5612 ± 0.0011 Å
• b: 12.8164 ± 0.0013 Å
• c: 15.0804 ± 0.0016 Å
• α: 85.716 ± 0.003°
• β: 77.587 ± 0.003°
• γ: 76.529 ± 0.003°
• Cell volume: 1938 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1085
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.2154
• Weighted residual factors for all reflections included in the refinement: 0.2364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No