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Information card for entry 1514947
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1514947.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H29 N O4 S |
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Calculated formula | C32 H29 N O4 S |
SMILES | S(=O)(=O)(c1ccccc1)C[C@@H]1N2c3c([C@]([C@H]2c2c1cccc2)(C(=O)OC(C)C)c1ccccc1)cccc3 |
Title of publication | Catalytic enantioselective electrocyclic cascades |
Authors of publication | Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D. |
Journal of publication | Chemical Science |
Year of publication | 2012 |
Journal volume | 3 |
Journal issue | 2 |
Pages of publication | 537 |
a | 9.3165 ± 0.0001 Å |
b | 14.3322 ± 0.0001 Å |
c | 19.705 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2631.13 ± 0.04 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0239 |
Residual factor for significantly intense reflections | 0.0237 |
Weighted residual factors for all reflections | 0.0621 |
Weighted residual factors for significantly intense reflections | 0.0619 |
Weighted residual factors for all reflections included in the refinement | 0.0621 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0057 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1514947.html
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Users of the data should acknowledge the original authors of the
structural data.