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Information card for entry 2240551
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| Coordinates | 2240551.cif |
|---|---|
| Structure factors | 2240551.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-<i>N</i>-(3,3-Diphenylallylidene)-9-ethyl-9<i>H</i>-carbazol-3-amine |
|---|---|
| Formula | C29 H24 N2 |
| Calculated formula | C29 H24 N2 |
| SMILES | CCn1c2c(cc(/N=C/C=C(c3ccccc3)c3ccccc3)cc2)c2c1cccc2 |
| Title of publication | Crystal structure of (<i>E</i>)-<i>N</i>-(3,3-diphenylallylidene)-9-ethyl-9<i>H</i>-carbazol-3-amine |
| Authors of publication | Thirumurthy, Kannan; Thirunarayanan, Ganesamoorthy; Murugavel, S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 4 |
| Pages of publication | 418 - 420 |
| a | 13.6502 ± 0.0017 Å |
| b | 8.7616 ± 0.0013 Å |
| c | 18.224 ± 0.002 Å |
| α | 90° |
| β | 92.234 ± 0.011° |
| γ | 90° |
| Cell volume | 2177.9 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0948 |
| Residual factor for significantly intense reflections | 0.0556 |
| Weighted residual factors for significantly intense reflections | 0.1241 |
| Weighted residual factors for all reflections included in the refinement | 0.15 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181905 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240551.cif 2240551.hkl |
| 181325 | 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 2/24/05. |
2240551.cif 2240551.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. |
2240551.cif 2240551.hkl |
| 135133 | 2015-04-08 | cif/ hkl/ Adding structures of 2240551 via cif-deposit CGI script. |
2240551.cif 2240551.hkl |
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Users of the data should acknowledge the original authors of the
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