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Information card for entry 2240492
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| Coordinates | 2240492.cif |
|---|---|
| Structure factors | 2240492.hkl |
| Original IUCr paper | HTML |
| Common name | 9-methacryloylanthracene |
|---|---|
| Chemical name | 1-(Anthracen-9-yl)-2-methylprop-2-en-1-one |
| Formula | C18 H14 O |
| Calculated formula | C18 H14 O |
| SMILES | O=C(c1c2ccccc2cc2ccccc12)C(=C)C |
| Title of publication | Crystal structure of 9-methacryloylanthracene |
| Authors of publication | Agrahari, Aditya; Wagers, Patrick O.; Schildcrout, Steven M.; Masnovi, John; Youngs, Wiley J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 4 |
| Pages of publication | 357 - 359 |
| a | 8.7602 ± 0.0005 Å |
| b | 9.1784 ± 0.0005 Å |
| c | 9.2032 ± 0.0005 Å |
| α | 67.206 ± 0.002° |
| β | 71.67 ± 0.003° |
| γ | 75.195 ± 0.002° |
| Cell volume | 639.98 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 all reflections | 0.0394 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.1028 |
| Weighted residual factors for all reflections included in the refinement | 0.106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240492.cif 2240492.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240492.cif 2240492.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240492.cif 2240492.hkl |
| 134013 | 2015-03-18 | cif/ hkl/ Adding structures of 2240492 via cif-deposit CGI script. |
2240492.cif 2240492.hkl |
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Users of the data should acknowledge the original authors of the
structural data.