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Information card for entry 1506164
Preview
| Coordinates | 1506164.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H50 Cl6 N4 O4 S2 |
|---|---|
| Calculated formula | C56 H50 Cl6 N4 O4 S2 |
| SMILES | ClC(Cl)Cl.ClC(Cl)Cl.S(=O)(=O)(N1N=C2C3=C(CC2)[C@H]([C@@H](C2=C4[C@@H]([C@H]3[C@@H]1c1ccccc1)[C@@H](N(S(=O)(=O)c1ccc(cc1)C)N=C4CC2)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)C.ClC(Cl)Cl.ClC(Cl)Cl.S(=O)(=O)(N1N=C2C3=C(CC2)[C@@H]([C@H](C2=C4[C@H]([C@@H]3[C@H]1c1ccccc1)[C@H](N(S(=O)(=O)c1ccc(cc1)C)N=C4CC2)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)C |
| Title of publication | Nickel-catalyzed [3+1+1] cycloaddition reactions of alkenyl Fischer carbene complexes with methylenecyclopropanes. |
| Authors of publication | Kamikawa, Ken; Shimizu, Yasunori; Takemoto, Shin; Matsuzaka, Hiroyuki |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 18 |
| Pages of publication | 4011 - 4014 |
| a | 14.894 ± 0.007 Å |
| b | 25.242 ± 0.013 Å |
| c | 19.3 ± 0.008 Å |
| α | 90° |
| β | 110.11 ± 0.04° |
| γ | 90° |
| Cell volume | 6814 ± 6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.3993 |
| Residual factor for significantly intense reflections | 0.2166 |
| Weighted residual factors for significantly intense reflections | 0.466 |
| Weighted residual factors for all reflections included in the refinement | 0.5352 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.293 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1506164.cif |
| 131991 | 2015-02-18 | cif/1/ (antanas@koala.ibt.lt) Removing extra trailing '�%' repetitions from 38 CIFs in 1/50/. |
1506164.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506164.cif |
| 48051 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506164 via cif-deposit CGI script. |
1506164.cif |
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