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Information card for entry 7227365
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Coordinates | 7227365.cif |
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Original paper (by DOI) | HTML |
Chemical name | Ethenzamide Ferulic acid |
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Formula | C19 H21 N O6 |
Calculated formula | C19 H21 N O6 |
SMILES | c1(c(cccc1)OCC)C(=O)N.c1(cc(c(cc1)O)OC)/C=C/C(=O)O |
Title of publication | Crystal structure landscape of ethenzamide: a physicochemical property study |
Authors of publication | Sarmah, Kashyap Kumar; Boro, Kaveri; Arhangelskis, Mihails; Thakuria, Ranjit |
Journal of publication | CrystEngComm |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 5 |
Pages of publication | 826 |
a | 15.539 ± 0.002 Å |
b | 7.4265 ± 0.001 Å |
c | 31.796 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3669.3 ± 0.8 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1115 |
Residual factor for significantly intense reflections | 0.0511 |
Weighted residual factors for significantly intense reflections | 0.1342 |
Weighted residual factors for all reflections included in the refinement | 0.1617 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
191570 (current) | 2017-02-04 | cif/ Updating files of 7227362, 7227363, 7227364, 7227365 Original log message: Adding full bibliography for 7227362--7227365.cif. |
7227365.cif |
189932 | 2017-01-06 | cif/ Adding structures of 7227362, 7227363, 7227364, 7227365 via cif-deposit CGI script. |
7227365.cif |
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Users of the data should acknowledge the original authors of the
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