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Information card for entry 1505932
Preview
Coordinates | 1505932.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H29 N O4 S |
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Calculated formula | C26 H29 N O4 S |
SMILES | Cc1ccc(cc1)S(=O)(=O)n1c2ccc3C(=O)[C@H]4C(C)(C)OC(C)(C)[C@@H]4Cc3c2c(C)c1.Cc1ccc(cc1)S(=O)(=O)n1c2ccc3C(=O)[C@@H]4C(C)(C)OC(C)(C)[C@H]4Cc3c2c(C)c1 |
Title of publication | Synthesis of the western half of the lolicines and lolitrems. |
Authors of publication | England, Dylan B.; Magolan, Jakob; Kerr, Michael A. |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 11 |
Pages of publication | 2209 - 2212 |
a | 10.8414 ± 0.0008 Å |
b | 10.9897 ± 0.0006 Å |
c | 11.1654 ± 0.0006 Å |
α | 82.275 ± 0.003° |
β | 80.529 ± 0.003° |
γ | 63.336 ± 0.003° |
Cell volume | 1169.84 ± 0.13 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0973 |
Residual factor for significantly intense reflections | 0.0524 |
Weighted residual factors for significantly intense reflections | 0.1292 |
Weighted residual factors for all reflections included in the refinement | 0.1473 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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. |
1505932.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505932.cif |
47861 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505932 via cif-deposit CGI script. |
1505932.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.