Information card for entry 2208188

Structure parameters

• Chemical name: 1'-Benzyl-1-(2,4-dimethoxyphenyl)-3-phenoxyspiro[azetidine-2,3'(3H)- indole]-2',4(1H)-dione
• Formula: C31 H26 N2 O5
• Calculated formula: C31 H26 N2 O5
• SMILES: O(c1cc(OC)c(N2C(=O)[C@@H](Oc3ccccc3)[C@]32c2c(N(C3=O)Cc3ccccc3)cccc2)cc1)C.O(c1cc(OC)c(N2C(=O)[C@H](Oc3ccccc3)[C@@]32c2c(N(C3=O)Cc3ccccc3)cccc2)cc1)C
• Title of publication: 1'-Benzyl-1-(2,4-dimethoxyphenyl)-3-phenoxyspiro[azetidine-2,3'(3<i>H</i>)-indole]-2',4(1<i>H</i>)-dione
• Authors of publication: Şerife Pınar; Mehmet Akkurt; Ali Asghar Jarrahpour; Dariush Khalili; Orhan Büyükgüngör
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o804 - o806
• a: 9.3547 ± 0.0007 Å
• b: 10.0777 ± 0.0005 Å
• c: 28.193 ± 0.002 Å
• α: 90°
• β: 106.838 ± 0.005°
• γ: 90°
• Cell volume: 2543.9 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No