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Information card for entry 7151837
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| Coordinates | 7151837.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H32 O P |
|---|---|
| Calculated formula | C36 H32 O P |
| Title of publication | The thermal C2-C6/[2 + 2] cyclisation of enyne-allenes: reversible diradical formation. |
| Authors of publication | Cinar, Mehmet Emin; Vavilala, Chandrasekhar; Fan, Jian; Schmittel, Michael |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 10 |
| Pages of publication | 3776 - 3779 |
| a | 9.0854 ± 0.0018 Å |
| b | 13.43 ± 0.003 Å |
| c | 13.56 ± 0.003 Å |
| α | 96.34 ± 0.03° |
| β | 107.73 ± 0.03° |
| γ | 102.33 ± 0.03° |
| Cell volume | 1512 ± 0.7 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 | 0.175 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for significantly intense reflections | 0.1118 |
| Weighted residual factors for all reflections included in the refinement | 0.1455 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.723 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
7151837.cif |
| 180304 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/18. |
7151837.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151837.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151837.cif |
| 21290 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151837 via cif-deposit CGI script. |
7151837.cif |
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Users of the data should acknowledge the original authors of the
structural data.