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Information card for entry 2230378
Preview
Coordinates | 2230378.cif |
---|---|
Structure factors | 2230378.hkl |
Original IUCr paper | HTML |
External links | ChemSpider |
Chemical name | 3a,8a-Dihydroxy-1,3,3a,8a-tetrahydroindeno[1,2-<i>d</i>]imidazole-2,8-dione |
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Formula | C10 H8 N2 O4 |
Calculated formula | C10 H8 N2 O4 |
SMILES | O=C1N[C@@]2(O)c3ccccc3C(=O)[C@@]2(O)N1.O=C1N[C@]2(O)c3ccccc3C(=O)[C@]2(O)N1 |
Title of publication | 3a,8a-Dihydroxy-1,3,3a,8a-tetrahydroindeno[1,2-<i>d</i>]imidazole-2,8-dione |
Authors of publication | Ghalib, Raza Murad; Hashim, Rokiah; Mehdi, Sayed Hasan; Quah, Ching Kheng; Fun, Hoong-Kun |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 6 |
Pages of publication | o1525 |
a | 6.7914 ± 0.0002 Å |
b | 7.3201 ± 0.0002 Å |
c | 9.5006 ± 0.0003 Å |
α | 94.258 ± 0.001° |
β | 102.773 ± 0.001° |
γ | 93.725 ± 0.001° |
Cell volume | 457.74 ± 0.02 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0559 |
Residual factor for significantly intense reflections | 0.0395 |
Weighted residual factors for significantly intense reflections | 0.0982 |
Weighted residual factors for all reflections included in the refinement | 0.1095 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
201979 (current) | 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. |
2230378.cif 2230378.hkl |
181225 | 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 2/23/03. |
2230378.cif 2230378.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. |
2230378.cif 2230378.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230378.cif 2230378.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. | 2230378.cif 2230378.hkl |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230378.cif 2230378.hkl |
22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230378.cif 2230378.hkl |
22358 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230378 via cif-deposit CGI script. |
2230378.cif |
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Users of the data should acknowledge the original authors of the
structural data.