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Information card for entry 2238990
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| Coordinates | 2238990.cif |
|---|---|
| Structure factors | 2238990.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-3-(9-Ethyl-9<i>H</i>-carbazol-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one |
|---|---|
| Formula | C24 H21 N O2 |
| Calculated formula | C24 H21 N O2 |
| SMILES | COc1ccccc1C(=O)/C=C/c1ccc2c(c1)c1ccccc1n2CC |
| Title of publication | (<i>E</i>)-3-(9-Ethyl-9<i>H</i>-carbazol-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one |
| Authors of publication | Lai, Hongshan; Gallucci, Judith C.; Li, Chenglong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | o190 |
| a | 15.9332 ± 0.0007 Å |
| b | 7.8915 ± 0.0003 Å |
| c | 30.4062 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3823.2 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.1193 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.083 |
| Weighted residual factors for all reflections included in the refinement | 0.1016 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181889 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/89. |
2238990.cif 2238990.hkl |
| 181308 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/89. |
2238990.cif 2238990.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2238990.cif 2238990.hkl |
| 104822 | 2014-03-11 | cif/ hkl/ Adding structures of 2238990 via cif-deposit CGI script. |
2238990.cif 2238990.hkl |
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