Information card for entry 2237709

Structure parameters

• Chemical name: (1'<i>S</i>,12'<i>R</i>,13'<i>S</i>,17'<i>S</i>)-15',15'-Dimethyl-1,2-dihydro-11',14',16',18'-tetraoxa-7'-azaspiro[indole-3,8'-pentacyclo[10.6.0.0^2,9^.0^3,7^.0^13,17^]octadecane]-2,10'-dione
• Formula: C22 H24 N2 O6
• Calculated formula: C22 H24 N2 O6
• SMILES: O1[C@@H]2[C@@H]3[C@@H]([C@]4(N5[C@H]3CCC5)c3c(NC4=O)cccc3)C(=O)O[C@@H]2[C@H]2OC(O[C@@H]12)(C)C
• Title of publication: (1'<i>S</i>,12'<i>R</i>,13'<i>S</i>,17'<i>S</i>)-15',15'-Dimethyl-1,2-dihydro-11',14',16',18'-tetraoxa-7'-azaspiro[indole-3,8'-pentacyclo[10.6.0.0^2,9^.0^3,7^.0^13,17^]octadecane]-2,10'-dione
• Authors of publication: Sabari, V.; Ponnusamy, R.; Prasanna, R.; Raghunathan, R.; Aravindhan, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o466
• a: 9.2737 ± 0.0005 Å
• b: 11.6543 ± 0.0008 Å
• c: 18.8489 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2037.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes