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Information card for entry 1506163
Preview
| Coordinates | 1506163.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C21 H20 O2 |
|---|---|
| Calculated formula | C21 H20 O2 |
| SMILES | O([C@@]1(/C=C/c2ccccc2)C(=O)CCC\1=C/c1ccccc1)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 | 9.214 ± 0.005 Å |
| b | 10.191 ± 0.005 Å |
| c | 9.606 ± 0.007 Å |
| α | 90° |
| β | 111.68 ± 0.03° |
| γ | 90° |
| Cell volume | 838.2 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.101 |
| Residual factor for significantly intense reflections | 0.0542 |
| Weighted residual factors for significantly intense reflections | 0.1197 |
| Weighted residual factors for all reflections included in the refinement | 0.1403 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 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. |
1506163.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. |
1506163.cif |
| 131991 | 2015-02-18 | cif/1/ (antanas@koala.ibt.lt) Removing extra trailing '�%' repetitions from 38 CIFs in 1/50/. |
1506163.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506163.cif |
| 48050 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506163 via cif-deposit CGI script. |
1506163.cif |
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Users of the data should acknowledge the original authors of the
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