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Information card for entry 2240263
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| Coordinates | 2240263.cif |
|---|---|
| Structure factors | 2240263.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dimethyl 3,3'-[(3-fluorophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate) |
|---|---|
| Formula | C27 H21 F N2 O4 |
| Calculated formula | C27 H21 F N2 O4 |
| SMILES | [nH]1c2c(c(C(c3c4ccccc4[nH]c3C(=O)OC)c3cc(F)ccc3)c1C(=O)OC)cccc2 |
| Title of publication | Crystal structure of dimethyl 3,3'-[(3-fluorophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate) |
| Authors of publication | Lu, Xin-Hua; Sun, Hong-Shun; Hu, Jin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| Pages of publication | 593 - 595 |
| a | 9.698 ± 0.0019 Å |
| b | 10.119 ± 0.002 Å |
| c | 12.875 ± 0.003 Å |
| α | 89.86 ± 0.03° |
| β | 83.1 ± 0.03° |
| γ | 65.45 ± 0.03° |
| Cell volume | 1139.4 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1055 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1429 |
| Weighted residual factors for all reflections included in the refinement | 0.1632 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181902 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/02 |
2240263.cif 2240263.hkl |
| 181322 | 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 2/24/02. |
2240263.cif 2240263.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. |
2240263.cif 2240263.hkl |
| 128016 | 2014-11-30 | cif/ hkl/ Adding structures of 2240263 via cif-deposit CGI script. |
2240263.cif 2240263.hkl |
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Users of the data should acknowledge the original authors of the
structural data.