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Information card for entry 7108478
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Coordinates | 7108478.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | WAP506 |
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Formula | C27 H35 B O6 S2 |
Calculated formula | C27 H35 B O6 S2 |
SMILES | B1(OC(C(O1)(C)C)(C)C)CC1CC(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)CCC\1=C/C |
Title of publication | Pd-catalyzed borylative cyclisation of 1,7-enynes |
Authors of publication | Diego Cardenas; Elena Bunuel; Virtudes Pardo-Rodriguez; Daniel Collado-Sanz |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 10517 |
a | 8.0433 ± 0.0002 Å |
b | 15.1139 ± 0.0003 Å |
c | 11.092 ± 0.0002 Å |
α | 90° |
β | 95.451 ± 0.001° |
γ | 90° |
Cell volume | 1342.31 ± 0.05 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 n 1 |
Hall space group symbol | P -2yac |
Residual factor for all reflections | 0.059 |
Residual factor for significantly intense reflections | 0.0486 |
Weighted residual factors for significantly intense reflections | 0.1277 |
Weighted residual factors for all reflections included in the refinement | 0.1421 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
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/7108478.html
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