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Information card for entry 4123284
Preview
Coordinates | 4123284.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H48 O7 |
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Calculated formula | C40 H48 O7 |
SMILES | O1CCOC21CC[C@@H]1[C@]2(C)CC[C@H]2[C@H]1CCc1c2ccc(OC2=CC(=O)C(=O)C3CC[C@H]4[C@@H]5CCC6(OCCO6)[C@]5(CC[C@@H]4C2=3)C)c1 |
Title of publication | Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues. |
Authors of publication | Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Journal volume | 137 |
Journal issue | 3 |
Pages of publication | 1330 - 1340 |
a | 8.8935 ± 0.0007 Å |
b | 10.0417 ± 0.0008 Å |
c | 36.708 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3278.2 ± 0.5 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0406 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for significantly intense reflections | 0.0913 |
Weighted residual factors for all reflections included in the refinement | 0.0933 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
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/4123284.html
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