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Information card for entry 7211146
Preview
Coordinates | 7211146.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H16 N2 O7 |
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Calculated formula | C21 H16 N2 O7 |
SMILES | o1c(cc(=O)c2c(O)cc(O)cc12)c1cc(O)c(O)cc1.O=C(N)c1ccncc1 |
Title of publication | Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization |
Authors of publication | Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa |
Journal of publication | CrystEngComm |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 38 |
Pages of publication | 7696 |
a | 4.265 ± 0.002 Å |
b | 12.485 ± 0.004 Å |
c | 17.03 ± 0.006 Å |
α | 94.22 ± 0.03° |
β | 91.27 ± 0.03° |
γ | 100.04 ± 0.03° |
Cell volume | 889.9 ± 0.6 Å3 |
Cell temperature | 102 ± 2 K |
Ambient diffraction temperature | 102 ± 2 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 | 0.0727 |
Residual factor for significantly intense reflections | 0.0394 |
Weighted residual factors for significantly intense reflections | 0.0739 |
Weighted residual factors for all reflections included in the refinement | 0.0787 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180442 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/11. |
7211146.cif |
90213 | 2013-11-17 | cif/ Adding structures of 7211139, 7211140, 7211141, 7211142, 7211143, 7211144, 7211145, 7211146, 7211147 via cif-deposit CGI script. |
7211146.cif |
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Users of the data should acknowledge the original authors of the
structural data.