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Information card for entry 7218269
Preview
Coordinates | 7218269.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H16 N2 O7 |
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Calculated formula | C21 H16 N2 O7 |
SMILES | o1c(c(O)c(=O)c2ccc(O)cc12)c1cc(O)c(O)cc1.O=C(N)c1cnccc1 |
Title of publication | Improving solubility of fisetin by cocrystallization |
Authors of publication | Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 46 |
Pages of publication | 10592 |
a | 8.204 ± 0.003 Å |
b | 12.534 ± 0.003 Å |
c | 18.02 ± 0.005 Å |
α | 90° |
β | 102.77 ± 0.03° |
γ | 90° |
Cell volume | 1807.1 ± 1 Å3 |
Cell temperature | 250 ± 2 K |
Ambient diffraction temperature | 250 ± 2 K |
Number of distinct elements | 4 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/c 1 |
Hall space group symbol | -P 2yc |
Residual factor for all reflections | 0.1207 |
Residual factor for significantly intense reflections | 0.0584 |
Weighted residual factors for significantly intense reflections | 0.1188 |
Weighted residual factors for all reflections included in the refinement | 0.1316 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180513 (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 7/21/82. |
7218269.cif |
126337 | 2014-11-06 | cif/ Updating files of 7218269, 7218270 Original log message: Adding full bibliography for 7218269--7218270.cif. |
7218269.cif |
124290 | 2014-09-27 | cif/ Adding structures of 7218269, 7218270 via cif-deposit CGI script. |
7218269.cif |
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Users of the data should acknowledge the original authors of the
structural data.