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Information card for entry 2230989
Preview
| Coordinates | 2230989.cif |
|---|---|
| Structure factors | 2230989.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | (8a<i>RS</i>)-8,8a-Dihydrofuro[3,2-<i>f</i>]indolizine- 6,9(4<i>H</i>,7<i>H</i>)-dione |
|---|---|
| Formula | C10 H9 N O3 |
| Calculated formula | C10 H9 N O3 |
| SMILES | C1(=O)CCC2C(=O)c3c(cco3)CN12 |
| Title of publication | (8a<i>RS</i>)-8,8a-Dihydrofuro[3,2-<i>f</i>]indolizine-6,9(4<i>H</i>,7<i>H</i>)-dione |
| Authors of publication | Vrábel, Viktor; Sivý, Július; Švorc, Łubomír; Šafář, Peter; Marchalín, Štefan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | o2035 |
| a | 7.63534 ± 0.00019 Å |
| b | 11.7583 ± 0.0002 Å |
| c | 9.9234 ± 0.0003 Å |
| α | 90° |
| β | 105.775 ± 0.003° |
| γ | 90° |
| Cell volume | 857.35 ± 0.04 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0564 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.1127 |
| Weighted residual factors for all reflections included in the refinement | 0.1199 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2230989.cif 2230989.hkl |
| 201979 | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2230989.cif 2230989.hkl |
| 181231 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/09. |
2230989.cif 2230989.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2230989.cif 2230989.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230989.cif 2230989.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2230989.cif 2230989.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2230989.cif 2230989.hkl |
| 26879 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2230989 via cif-deposit CGI script. |
2230989.cif |
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Users of the data should acknowledge the original authors of the
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