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Information card for entry 1504800
Preview
| Coordinates | 1504800.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29.38 H19.75 Cl1.5 F6 N2 |
|---|---|
| Calculated formula | C29.375 H19.75 Cl1.5 F6 N2 |
| Title of publication | Synthesis of electronically diverse tetraarylimidazolylidene carbenes via catalytic aldimine coupling. |
| Authors of publication | Ogle, James W.; Zhang, Jubo; Reibenspies, Joseph H.; Abboud, Khalil A.; Miller, Stephen A. |
| Journal of publication | Organic letters |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 17 |
| Pages of publication | 3677 - 3680 |
| a | 10.757 ± 0.003 Å |
| b | 15.673 ± 0.005 Å |
| c | 15.764 ± 0.005 Å |
| α | 98.285 ± 0.005° |
| β | 90.679 ± 0.005° |
| γ | 95.983 ± 0.005° |
| Cell volume | 2614.7 ± 1.4 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 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 | 0.1056 |
| Residual factor for significantly intense reflections | 0.089 |
| Weighted residual factors for significantly intense reflections | 0.1784 |
| Weighted residual factors for all reflections included in the refinement | 0.1878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1504800.cif |
| 171443 | 2015-12-11 | cod/ (antanas@echidna.ibt.lt) Moving the text that describes the way the file was generated from the _chemical_name_systematic tag value, where it was incorrectly stored, into the _audit_creation_method tag value. |
1504800.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504800.cif |
| 42374 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504800 via cif-deposit CGI script. |
1504800.cif |
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Users of the data should acknowledge the original authors of the
structural data.