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Information card for entry 2237348
Preview
Coordinates | 2237348.cif |
---|---|
Structure factors | 2237348.hkl |
Original IUCr paper | HTML |
Chemical name | 3-[2-(5-<i>tert</i>-Butyl-1,2-oxazol-3-yl)hydrazinylidene]chroman-2,4-dione |
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Formula | C16 H15 N3 O4 |
Calculated formula | C16 H15 N3 O4 |
SMILES | O=C1Oc2ccccc2C(=O)/C1=N\Nc1noc(c1)C(C)(C)C |
Title of publication | 3-[2-(5-<i>tert</i>-Butyl-1,2-oxazol-3-yl)hydrazinylidene]chroman-2,4-dione |
Authors of publication | Jashari, Ahmed; Popovski, Emil; Mikhova, Bozhana; Nikolova, Rositsa P.; Shivachev, Boris L. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 2 |
Pages of publication | o258 |
a | 13.431 ± 0.014 Å |
b | 9.1803 ± 0.0009 Å |
c | 12.638 ± 0.004 Å |
α | 90° |
β | 100.49 ± 0.08° |
γ | 90° |
Cell volume | 1532.2 ± 1.7 Å3 |
Cell temperature | 290 ± 2 K |
Ambient diffraction temperature | 290 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.101 |
Residual factor for significantly intense reflections | 0.0718 |
Weighted residual factors for significantly intense reflections | 0.1659 |
Weighted residual factors for all reflections included in the refinement | 0.1813 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181295 (current) | 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 2/23/73. |
2237348.cif 2237348.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. |
2237348.cif 2237348.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. | 2237348.cif 2237348.hkl |
75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237348.cif 2237348.hkl |
75359 | 2013-03-09 | cif/ Adding structures of 2237348 via cif-deposit CGI script. |
2237348.cif |
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Users of the data should acknowledge the original authors of the
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