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Information card for entry 2239308
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| Coordinates | 2239308.cif |
|---|---|
| Structure factors | 2239308.hkl |
| Original IUCr paper | HTML |
| Chemical name | Methyl 1-[(<i>Z</i>)-2-(benzyloxycarbonyl)hydrazin-1-ylidene]-5-chloro-2-hydroxyindane-2-carboxylate |
|---|---|
| Formula | C19 H17 Cl N2 O5 |
| Calculated formula | C19 H17 Cl N2 O5 |
| SMILES | Clc1ccc2c(c1)CC(O)(/C2=N\NC(=O)OCc1ccccc1)C(=O)OC |
| Title of publication | Methyl 1-[(<i>Z</i>)-2-(benzyloxycarbonyl)hydrazin-1-ylidene]-5-chloro-2-hydroxyindane-2-carboxylate |
| Authors of publication | Dong, Kun; Wang, Yifeng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | o527 |
| a | 8.362 ± 0.003 Å |
| b | 10.627 ± 0.003 Å |
| c | 11.47 ± 0.004 Å |
| α | 108.575 ± 0.006° |
| β | 99.377 ± 0.007° |
| γ | 100.886 ± 0.006° |
| Cell volume | 921.1 ± 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 | 0.0622 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1493 |
| Weighted residual factors for all reflections included in the refinement | 0.1615 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181893 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/93. |
2239308.cif 2239308.hkl |
| 181312 | 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 2/23/93. |
2239308.cif 2239308.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239308.cif 2239308.hkl |
| 109378 | 2014-04-11 | cif/ hkl/ Adding structures of 2239308 via cif-deposit CGI script. |
2239308.cif 2239308.hkl |
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