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Information card for entry 4107887
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Coordinates | 4107887.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | LCC-Br-cyclo |
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Formula | C23 H28 Br N O7 |
Calculated formula | C23 H28 Br N O7 |
SMILES | [C@@H]12[C@H]([C@H]3[C@]45[C@@]6(C(=O)C[C@@]7(C8(CC[C@H]7[C@@H]6CC[C@]4(C1)O[C@@H](N2C=O)O3)OCCO8)C)[C@H]5Br)O |
Title of publication | Synthesis of (+)-Cortistatin A |
Authors of publication | Ryan A. Shenvi; Carlos A. Guerrero; Jun Shi; Chuang-Chuang Li; Phil S. Baran |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 7241 - 7243 |
a | 14.801 ± 0.0007 Å |
b | 19.3787 ± 0.0009 Å |
c | 7.3587 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2110.65 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 18 |
Hermann-Mauguin space group symbol | P 21 21 2 |
Hall space group symbol | P 2 2ab |
Residual factor for all reflections | 0.0328 |
Residual factor for significantly intense reflections | 0.0299 |
Weighted residual factors for significantly intense reflections | 0.0761 |
Weighted residual factors for all reflections included in the refinement | 0.0775 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/4107887.html
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