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Information card for entry 7218132
Preview
Coordinates | 7218132.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 3H-Phenanthro[9,10-d]oxazol-2-one |
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Formula | C15 H9 N O2 |
Calculated formula | C15 H9 N O2 |
SMILES | C1(=O)Nc2c3ccccc3c3ccccc3c2O1 |
Title of publication | Carbon dioxide as a primary oxidant and a C1 building block |
Authors of publication | Speier, Gábor; Bors, István; Kaizer, József; Giorgi, Michel |
Journal of publication | RSC Adv. |
Year of publication | 2014 |
a | 41.056 ± 0.001 Å |
b | 10.517 ± 0.0005 Å |
c | 22.3769 ± 0.0009 Å |
α | 90° |
β | 118.092 ± 0.002° |
γ | 90° |
Cell volume | 8523.8 ± 0.6 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.2353 |
Residual factor for significantly intense reflections | 0.0865 |
Weighted residual factors for significantly intense reflections | 0.2074 |
Weighted residual factors for all reflections included in the refinement | 0.3028 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
182989 (current) | 2016-05-17 | Fixing some Z values and formulae |
7218132.cif |
180512 | 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 7/21/81. |
7218132.cif |
123841 | 2014-09-16 | cif/ Adding structures of 7218132 via cif-deposit CGI script. |
7218132.cif |
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Users of the data should acknowledge the original authors of the
structural data.