Information card for entry 2202880

Structure parameters

• Chemical name: 3-(2,6-Dichlorophenyl)-1"-methyl- 4,4"-diphenyloxazole-5(4H)-spiro-2'-cyclopentane- 5'-spiro-3"-pyrrolidine-2"-spiro-3"'-1H-indole- 2"'(3"'H),1'-dione
• Formula: C36 H29 Cl2 N3 O3
• Calculated formula: C36 H29 Cl2 N3 O3
• SMILES: Clc1c(C2=NO[C@@]3(C(=O)[C@]4(CC3)[C@@]3(N(C[C@H]4c4ccccc4)C)c4ccccc4NC3=O)[C@@H]2c2ccccc2)c(Cl)ccc1.Clc1c(C2=NO[C@]3(C(=O)[C@@]4(CC3)[C@]3(N(C[C@@H]4c4ccccc4)C)c4ccccc4NC3=O)[C@H]2c2ccccc2)c(Cl)ccc1
• Title of publication: 3'''-(2,6-Dichlorophenyl)-1'-methyl-4',4'''-diphenyl-4''',5'''-dihydro-indole-3-spiro-2'-pyrrolidine-3'-spiro-1''-cyclopentane-3''-spiro-5'''-[1,2]oxazole-2(3<i>H</i>),2''-dione
• Authors of publication: Li, Xiao-Fang; Feng, Ya-Qing; Gao, Bo; Li, Nan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1659 - o1660
• a: 12.622 ± 0.004 Å
• b: 9.644 ± 0.003 Å
• c: 24.576 ± 0.009 Å
• α: 90°
• β: 92.958 ± 0.006°
• γ: 90°
• Cell volume: 2987.6 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1307
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes