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Information card for entry 2240110
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| Coordinates | 2240110.cif |
|---|---|
| Structure factors | 2240110.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3,3'-[(3-Nitrophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate) ethanol monosolvate |
|---|---|
| Formula | C29 H27 N3 O7 |
| Calculated formula | C29 H27 N3 O7 |
| SMILES | N(=O)(=O)c1cc(ccc1)C(c1c2ccccc2[nH]c1C(=O)OC)c1c2ccccc2[nH]c1C(=O)OC.OCC |
| Title of publication | Crystal structure of dimethyl 3,3'-[(3-nitrophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate) ethanol monosolvate |
| Authors of publication | Sun, Hong-Shun; Li, Yu-Long; Jiang, Hong; Xu, Ning; Xu, Hong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | 370 - 372 |
| a | 11.074 ± 0.002 Å |
| b | 11.585 ± 0.002 Å |
| c | 12.898 ± 0.003 Å |
| α | 114.09 ± 0.03° |
| β | 106.68 ± 0.03° |
| γ | 99.2 ± 0.03° |
| Cell volume | 1372.5 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0998 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.1432 |
| Weighted residual factors for all reflections included in the refinement | 0.1655 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181901 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240110.cif 2240110.hkl |
| 181321 | 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 2/24/01. |
2240110.cif 2240110.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. |
2240110.cif 2240110.hkl |
| 125892 | 2014-10-26 | cif/ hkl/ Adding structures of 2240110 via cif-deposit CGI script. |
2240110.cif 2240110.hkl |
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Users of the data should acknowledge the original authors of the
structural data.