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Information card for entry 1507477
Preview
| Coordinates | 1507477.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | 01194 |
|---|---|
| Formula | C24 H16 O3 |
| Calculated formula | C24 H16 O3 |
| SMILES | O1C(=O)/C(=C/c2ccccc2)C(C1=O)=C(c1ccccc1)c1ccccc1 |
| Title of publication | Stereoselective Stobbe Condensation of Ethyl Methyl Diphenylmethylenesuccinate with Aromatic Aldehydes |
| Authors of publication | Liu, Jin; Brooks, Neil R. |
| Journal of publication | Organic Letters |
| Year of publication | 2002 |
| Journal volume | 4 |
| Journal issue | 20 |
| Pages of publication | 3521 |
| a | 8.1438 ± 0.0011 Å |
| b | 11.5962 ± 0.0016 Å |
| c | 18.591 ± 0.003 Å |
| α | 90° |
| β | 95.066 ± 0.002° |
| γ | 90° |
| Cell volume | 1748.8 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0418 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.0968 |
| Weighted residual factors for all reflections included in the refinement | 0.1028 |
| 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 | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
1507477.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1507477.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1507477.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507477.cif |
| 53998 | 2012-04-20 | cif/ Adding structures of 1507477 via cif-deposit CGI script. |
1507477.cif |
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Users of the data should acknowledge the original authors of the
structural data.