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Information card for entry 7220049
Preview
Coordinates | 7220049.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H25 Br N3 O4 S2 |
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Calculated formula | C25 H25 Br N3 O4 S2 |
SMILES | Brc1c([C@H]2[C@@H]([C@@]3(N4[C@@H]2CCC4)c2cc(N(=O)=O)ccc2NC3=O)C(=O)C=C(SC)SC)cccc1.Brc1c([C@@H]2[C@H]([C@]3(N4[C@H]2CCC4)c2cc(N(=O)=O)ccc2NC3=O)C(=O)C=C(SC)SC)cccc1 |
Title of publication | One-pot chemo/regio/stereoselective generation of library of functionalized spiro-oxindoles/pyrrolizines/pyrrolidines from α‒aroylidineketene dithioacetals |
Authors of publication | SHANMUGAM, SIVAKUMAR; Pandi, Dhanalakshmi; Seenivasagaperumal, Sriram Babu; Thimmarayaperumal, Solaimalai |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
a | 18.2286 ± 0.0012 Å |
b | 9.6157 ± 0.0006 Å |
c | 30.5098 ± 0.0019 Å |
α | 90° |
β | 105.463 ± 0.003° |
γ | 90° |
Cell volume | 5154.2 ± 0.6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.0772 |
Residual factor for significantly intense reflections | 0.0474 |
Weighted residual factors for all reflections included in the refinement | 0.1254 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0506 |
Diffraction radiation wavelength | 0.71073 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7220049.html
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Users of the data should acknowledge the original authors of the
structural data.