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Information card for entry 7056783
Preview
Coordinates | 7056783.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H18 N2 O6 S |
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Calculated formula | C15 H18 N2 O6 S |
SMILES | S1[C@@H](N([C@@H](C1)C(=O)O)C(=O)OC(C)(C)C)c1c(N(=O)=O)cccc1 |
Title of publication | X-ray crystal structures and anti-breast cancer property of 3-tert-butoxycarbonyl-2-arylthiazolidine-4-carboxylic acids |
Authors of publication | Jagtap, Rohidas M.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Khan, Ayesha A.; Pardeshi, Satish K. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2018 |
Journal volume | 42 |
Journal issue | 2 |
Pages of publication | 1078 |
a | 10.0776 ± 0.0004 Å |
b | 6.3731 ± 0.0003 Å |
c | 13.224 ± 0.0006 Å |
α | 90° |
β | 90.418 ± 0.001° |
γ | 90° |
Cell volume | 849.3 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0239 |
Residual factor for significantly intense reflections | 0.0237 |
Weighted residual factors for significantly intense reflections | 0.0646 |
Weighted residual factors for all reflections included in the refinement | 0.0648 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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