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Information card for entry 7220496
Preview
Coordinates | 7220496.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H38 O3 |
---|---|
Calculated formula | C27 H38 O3 |
SMILES | O(C(=O)CCCCCC)[C@]1(C#C)[C@@]2([C@H]([C@H]3[C@@H]([C@@H]4C(=CC(=O)CC4)CC3)CC2)CC1)C |
Title of publication | Insights into the fatty acid ester norethisterone enanthate binding to human albumin: fluorescence, circular dichroism, and docking investigations |
Authors of publication | Wang, Qing; Ma, Xiangling; He, Jiawei; Li, Yuanzhi; Li, Hui |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
Journal volume | 5 |
Journal issue | 55 |
Pages of publication | 44696 |
a | 6.09236 ± 0.00014 Å |
b | 12.7347 ± 0.0003 Å |
c | 30.1234 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2337.11 ± 0.1 Å3 |
Cell temperature | 110.01 ± 0.16 K |
Ambient diffraction temperature | 110.01 ± 0.16 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 | 0.0569 |
Residual factor for significantly intense reflections | 0.0543 |
Weighted residual factors for significantly intense reflections | 0.1376 |
Weighted residual factors for all reflections included in the refinement | 0.1404 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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