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Information card for entry 1503439
Preview
Coordinates | 1503439.cif |
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Original paper (by DOI) | HTML |
Formula | C35 H27 Cl2 N O5 |
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Calculated formula | C35 H27 Cl2 N O5 |
SMILES | Clc1ccc2[C@]3([C@@H](CC(=C([C@H]3c3cc(Cl)ccc3)C(=O)OCc3ccccc3)O)c3ccccc3)C(=O)N(C(=O)C)c2c1 |
Title of publication | Organocatalytic asymmetric formal [4 + 2] cycloaddition for the synthesis of spiro[4-cyclohexanone-1,3'-oxindoline] derivatives in high optical purity. |
Authors of publication | Wei, Qiang; Gong, Liu-Zhu |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 5 |
Pages of publication | 1008 - 1011 |
a | 14.961 ± 0.005 Å |
b | 14.961 ± 0.005 Å |
c | 25.968 ± 0.005 Å |
α | 90 ± 0.005° |
β | 90 ± 0.005° |
γ | 120 ± 0.005° |
Cell volume | 5034 ± 3 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 144 |
Hermann-Mauguin space group symbol | P 31 |
Hall space group symbol | P 31 |
Residual factor for all reflections | 0.1046 |
Residual factor for significantly intense reflections | 0.0785 |
Weighted residual factors for significantly intense reflections | 0.2167 |
Weighted residual factors for all reflections included in the refinement | 0.2259 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 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. |
1503439.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503439.cif |
37311 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503439 via cif-deposit CGI script. |
1503439.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.