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Information card for entry 4028201
Preview
Coordinates | 4028201.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H44 N2 O2 S Si |
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Calculated formula | C27 H44 N2 O2 S Si |
SMILES | [Si](C(=C1\C(N(S(=O)(=O)c2ccc(cc2)C)C[C@H]1C)(CC)CC)\C#N)(C(C)C)(C(C)C)C(C)C |
Title of publication | AntiCarbocyanative Cyclization of Enynes under Nickel Catalysis |
Authors of publication | Tomohiro Igarashi; Shigeru Arai; Atsushi Nishida |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 4366 - 4372 |
a | 13.1622 ± 0.0012 Å |
b | 14.1592 ± 0.0012 Å |
c | 15.1685 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2826.9 ± 0.4 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.031 |
Residual factor for significantly intense reflections | 0.0293 |
Weighted residual factors for significantly intense reflections | 0.0942 |
Weighted residual factors for all reflections included in the refinement | 0.0976 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.86 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178461 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/82. |
4028201.cif |
94386 | 2014-01-23 | cif/ Adding structures of 4028201 via cif-deposit CGI script. |
4028201.cif |
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Users of the data should acknowledge the original authors of the
structural data.