Information card for entry 2238955

Structure parameters

• Chemical name: (4'-Acetyloxy-1,3,1'-trioxo-1,3,4,4a,4b,5,6,7,9,9a-decahydrospiro[indene-2,9'-pyrano[4,3-<i>a</i>]pyrrolizin]-3'-yl)methyl acetate
• Formula: C23 H23 N O8
• Calculated formula: C23 H23 N O8
• SMILES: CC(=O)O[C@H]1[C@@H](COC(=O)C)OC(=O)[C@H]2[C@@H]1[C@@H]1CCCN1C12C(=O)c2c(C1=O)cccc2
• Title of publication: (4'-Acetyloxy-1,3,1'-trioxo-1,3,4,4a,4b,5,6,7,9,9a-decahydrospiro[indene-2,9'-pyrano[4,3-<i>a</i>]pyrrolizin]-3'-yl)methyl acetate
• Authors of publication: Latha, N.; Naga Siva Rao, J.; Raghunathan, R.; Divya, G.; Lakshmi, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1764
• a: 10.4817 ± 0.0004 Å
• b: 13.4904 ± 0.0005 Å
• c: 15.1639 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2144.21 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0757
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No