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Information card for entry 7111712
Preview
| Coordinates | 7111712.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H27 N O3 |
|---|---|
| Calculated formula | C27 H27 N O3 |
| SMILES | c1cc(Cn2c3c(c(c(cc3OC)C(=O)OC)CC=C(C)C)c3c2cccc3)ccc1 |
| Title of publication | A rapid entry to C-prenylcarbazoles: total synthesis of clausamine C‒D, clausevatine D and clausine F |
| Authors of publication | Jana, Amit Kumar; Mal, Dipakranjan |
| Journal of publication | Chemical Communications |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 24 |
| Pages of publication | 4411 - 4413 |
| a | 13.752 ± 0.002 Å |
| b | 15.076 ± 0.003 Å |
| c | 21.81 ± 0.004 Å |
| α | 90° |
| β | 95.944 ± 0.006° |
| γ | 90° |
| Cell volume | 4497.5 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0828 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.119 |
| Weighted residual factors for all reflections included in the refinement | 0.1396 |
| 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 | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206958 (current) | 2018-03-15 | Fixing many Z values and formulae detected when treating files that initially displayed Z' < 1 |
7111712.cif |
| 198633 | 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. |
7111712.cif |
| 180231 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/17. |
7111712.cif |
| 96745 | 2014-01-29 | cif/ Adding structures of 7111712 via cif-deposit CGI script. |
7111712.cif |
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Users of the data should acknowledge the original authors of the
structural data.