Information card for entry 2238769

Structure parameters

• Chemical name: (1<i>S</i>,1'<i>S</i>,2'<i>R</i>,4a'<i>S</i>,9a'<i>S</i>,9b'<i>R</i>)-1'-Acetyloxy-2,4'-dioxo-2',4',4a',7',8',9',9a',9b'-octahydro-1'<i>H</i>,2<i>H</i>-spiro[acenaphthylene-1,5'-pyrano[4,3-<i>a</i>]pyrrolizin]-2'-ylmethyl acetate
• Formula: C26 H25 N O7
• Calculated formula: C26 H25 N O7
• SMILES: CC(=O)O[C@@H]1[C@@H](COC(=O)C)OC(=O)[C@H]2[C@@H]1[C@@H]1CCCN1[C@]12C(=O)c2c3c1cccc3ccc2
• Title of publication: (1<i>S</i>,1'<i>S</i>,2'<i>R</i>,4a'<i>S</i>,9a'<i>S</i>,9b'<i>R</i>)-1'-Acetyloxy-2,4'-dioxo-2',4',4a',7',8',9',9a',9b'-octahydro-1'<i>H</i>,2<i>H</i>-spiro[acenaphthylene-1,5'-pyrano[4,3-<i>a</i>]pyrrolizin]-2'-ylmethyl acetate
• Authors of publication: Santhiya, S.; Naga Siva Rao, J.; Raghunathan, R.; Latha, N.; Lakshmi, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1601
• a: 13.6792 ± 0.0003 Å
• b: 13.6792 ± 0.0003 Å
• c: 24.9625 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4671 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No