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Information card for entry 2006663
Preview
Coordinates | 2006663.cif |
---|---|
Original IUCr paper | HTML |
Formula | C24 H32 O7 |
---|---|
Calculated formula | C24 H32 O7 |
SMILES | COC(=O)C1(C/C=C/C=C/[C@@H]2CCC(=O)[C@]2(CC/C=C(/CC1)C)C(=O)OC)C(=O)OC.COC(=O)C1(C/C=C/C=C/[C@H]2CCC(=O)[C@@]2(CC/C=C(/CC1)C)C(=O)OC)C(=O)OC |
Title of publication | Diastereoselectivity in the Transannular Diels‒Alder Reaction of a <i>trans</i>-<i>trans</i>-<i>trans</i> 14-Membered Macrocycle Leading to Steroids |
Authors of publication | Drouin, Marc; Couturier, Michel; Pierre Deslongchamps |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 11 |
Pages of publication | 1698 - 1701 |
a | 23.756 ± 0.002 Å |
b | 6.9151 ± 0.0005 Å |
c | 28.381 ± 0.002 Å |
α | 90° |
β | 95.457 ± 0.006° |
γ | 90° |
Cell volume | 4641.2 ± 0.6 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | A 1 2/a 1 |
Hall space group symbol | -A 2ya |
Residual factor for all reflections | 0.096 |
Residual factor for significantly intense reflections | 0.06 |
Weighted residual factors for all reflections | 0.1764 |
Weighted residual factors for significantly intense reflections | 0.1571 |
Goodness-of-fit parameter for all reflections | 1.071 |
Goodness-of-fit parameter for significantly intense reflections | 1.255 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CopperKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/2006663.html
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Users of the data should acknowledge the original authors of the
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