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Information card for entry 4026539
Preview
Coordinates | 4026539.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H21 N O4 S |
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Calculated formula | C16 H21 N O4 S |
SMILES | S1(=O)(=O)C[C@@H]([C@H]2CN(C[C@@H]12)Cc1ccccc1)CC(=O)OC.S1(=O)(=O)C[C@H]([C@@H]2CN(C[C@H]12)Cc1ccccc1)CC(=O)OC |
Title of publication | An Entry into Hexahydro-2H-thieno[2,3-c]pyrrole 1,1-Dioxide Derivatives |
Authors of publication | Vladimir S. Yarmolchuk; Ivan L. Mukan; Oleksandr O. Grygorenko; Andrey A. Tolmachev; Svitlana V. Shishkina; Oleg V. Shishkin; Igor V. Komarov |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 7010 - 7016 |
a | 27.7068 ± 0.0011 Å |
b | 5.8066 ± 0.0002 Å |
c | 21.0351 ± 0.0008 Å |
α | 90° |
β | 103.144 ± 0.004° |
γ | 90° |
Cell volume | 3295.5 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0498 |
Residual factor for significantly intense reflections | 0.0387 |
Weighted residual factors for significantly intense reflections | 0.1042 |
Weighted residual factors for all reflections included in the refinement | 0.1109 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4026539.html
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Users of the data should acknowledge the original authors of the
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