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Information card for entry 1520259
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Coordinates | 1520259.cif |
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Chemical name | N-(4-methoxyphenyl)acetamide |
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Formula | C9 H11 N O2 |
Calculated formula | C9 H11 N O2 |
SMILES | c1(ccc(cc1)OC)NC(=O)C |
Title of publication | N-(4-methoxyphenyl)acetamide |
Authors of publication | Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.; Coles, Simon J. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2008 |
Pages of publication | 543 |
a | 9.1172 ± 0.0002 Å |
b | 7.495 ± 0.0002 Å |
c | 24.6628 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1685.29 ± 0.07 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.0459 |
Residual factor for significantly intense reflections | 0.0383 |
Weighted residual factors for significantly intense reflections | 0.0994 |
Weighted residual factors for all reflections included in the refinement | 0.1049 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1520259.cif |
137885 | 2015-06-04 | cif/ Adding structures of 1520259 via cif-deposit CGI script. |
1520259.cif |
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Users of the data should acknowledge the original authors of the
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