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Information card for entry 2237557
Preview
Coordinates | 2237557.cif |
---|---|
Structure factors | 2237557.hkl |
Original IUCr paper | HTML |
Chemical name | Diethyl 2,6-dimethyl-4-[4-(3-phenylacryloyloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate hemihydrate |
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Formula | C28 H30 N O6.5 |
Calculated formula | C28 H30 N O6.5 |
Title of publication | Diethyl 2,6-dimethyl-4-[4-(3-phenylacryloyloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate hemihydrate |
Authors of publication | Sharmila, P.; Suresh Kumar, C.; Ananth, Karthik; Narasimhan, S.; Aravindhan, S. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 3 |
Pages of publication | o389 |
a | 25.4905 ± 0.0011 Å |
b | 8.6166 ± 0.0004 Å |
c | 23.2902 ± 0.001 Å |
α | 90° |
β | 92.235 ± 0.002° |
γ | 90° |
Cell volume | 5111.6 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0782 |
Residual factor for significantly intense reflections | 0.0481 |
Weighted residual factors for significantly intense reflections | 0.134 |
Weighted residual factors for all reflections included in the refinement | 0.1462 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181297 (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 2/23/75. |
2237557.cif 2237557.hkl |
176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2237557.cif 2237557.hkl |
88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237557.cif 2237557.hkl |
88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237557.cif 2237557.hkl |
78858 | 2013-04-02 | cif/ Adding structures of 2237557 via cif-deposit CGI script. |
2237557.cif |
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Users of the data should acknowledge the original authors of the
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