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Information card for entry 2238955
Preview
Coordinates | 2238955.cif |
---|---|
Original IUCr paper | HTML |
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 |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2238955.html
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Users of the data should acknowledge the original authors of the
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