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Information card for entry 7218270
Preview
Coordinates | 7218270.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H30 N8 O10 |
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Calculated formula | C31 H30 N8 O10 |
SMILES | o1c(c(O)c(=O)c2ccc(O)cc12)c1cc(O)c(O)cc1.O=C1N(C)C(=O)c2n(cnc2N1C)C.O=C1N(C)C(=O)c2n(cnc2N1C)C |
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 | 7.553 ± 0.002 Å |
b | 14.247 ± 0.005 Å |
c | 15.149 ± 0.005 Å |
α | 66.25 ± 0.04° |
β | 79.39 ± 0.03° |
γ | 81.05 ± 0.03° |
Cell volume | 1460.6 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.161 |
Residual factor for significantly intense reflections | 0.0663 |
Weighted residual factors for significantly intense reflections | 0.107 |
Weighted residual factors for all reflections included in the refinement | 0.1224 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
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. |
7218270.cif |
126337 | 2014-11-06 | cif/ Updating files of 7218269, 7218270 Original log message: Adding full bibliography for 7218269--7218270.cif. |
7218270.cif |
124290 | 2014-09-27 | cif/ Adding structures of 7218269, 7218270 via cif-deposit CGI script. |
7218270.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.