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Information card for entry 7223442
Preview
Coordinates | 7223442.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H24 N2 O3 S |
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Calculated formula | C28 H24 N2 O3 S |
SMILES | S1C[C@@H]2N([C@@]3([C@]([C@H]2c2ccc(C)cc2)(C#N)C(=O)OCC)c2c4c(cccc4C3=O)ccc2)C1.S1C[C@H]2N([C@]3([C@@]([C@@H]2c2ccc(C)cc2)(C#N)C(=O)OCC)c2c4c(cccc4C3=O)ccc2)C1 |
Title of publication | Imposed hydrophobic interactions by NaCl: accountable attribute for the synthesis of spiro[acenaphthylene-1,5′-pyrrolo[1,2-c]thiazole] derivatives via 1,3-dipolar cycloaddition reaction in aqueous medium |
Authors of publication | Dandia, Anshu; Parewa, Vijay; Kumari, Sukhbeer; Bansal, Sarika; Sharma, Amit |
Journal of publication | Green Chem. |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 8 |
Pages of publication | 2488 |
a | 9.0258 ± 0.0009 Å |
b | 11.0099 ± 0.001 Å |
c | 12.4506 ± 0.0012 Å |
α | 79.449 ± 0.004° |
β | 76.11 ± 0.004° |
γ | 80.803 ± 0.003° |
Cell volume | 1172 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0756 |
Residual factor for significantly intense reflections | 0.0496 |
Weighted residual factors for significantly intense reflections | 0.14 |
Weighted residual factors for all reflections included in the refinement | 0.1625 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
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/7223442.html
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Users of the data should acknowledge the original authors of the
structural data.