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Information card for entry 2240851
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| Coordinates | 2240851.cif |
|---|---|
| Structure factors | 2240851.hkl |
| Original paper (by DOI) | HTML |
| Common name | 3-(Hydroxymethyl)chromone |
|---|---|
| Chemical name | 3-(Hydroxymethyl)-4<i>H</i>-chromen-4-one |
| Formula | C10 H8 O3 |
| Calculated formula | C10 H8 O3 |
| SMILES | o1cc(c(=O)c2ccccc12)CO |
| Title of publication | Crystal structure of 3-(hydroxymethyl)chromone |
| Authors of publication | Ishikawa, Yoshinobu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| Pages of publication | o495 |
| a | 6.756 ± 0.004 Å |
| b | 7.988 ± 0.006 Å |
| c | 7.991 ± 0.006 Å |
| α | 94.48 ± 0.06° |
| β | 108.27 ± 0.05° |
| γ | 103.31 ± 0.05° |
| Cell volume | 393.2 ± 0.5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0648 |
| Weighted residual factors for all reflections included in the refinement | 0.2023 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181908 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08 |
2240851.cif 2240851.hkl |
| 139445 | 2015-06-20 | cif/ hkl/ Adding structures of 2240851 via cif-deposit CGI script. |
2240851.cif 2240851.hkl |
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Users of the data should acknowledge the original authors of the
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