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Information card for entry 1553265
Preview
Coordinates | 1553265.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H11.556 N0.889 O0.889 |
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Calculated formula | C12 H11.5556 N0.888889 O0.888889 |
Title of publication | Tanshinone-IIA-Based Analogues of Imidazole Alkaloid Act as Potent Inhibitors To Block Breast Cancer Invasion and Metastasis in Vivo. |
Authors of publication | Wu, Qiong; Zheng, Kangdi; Huang, Xiaoting; Li, Li; Mei, Wenjie |
Journal of publication | Journal of medicinal chemistry |
Year of publication | 2018 |
Journal volume | 61 |
Journal issue | 23 |
Pages of publication | 10488 - 10501 |
a | 12.27 ± 0.0003 Å |
b | 21.5852 ± 0.0004 Å |
c | 8.2015 ± 0.0003 Å |
α | 90° |
β | 99.774 ± 0.003° |
γ | 90° |
Cell volume | 2140.64 ± 0.1 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0857 |
Residual factor for significantly intense reflections | 0.0622 |
Weighted residual factors for significantly intense reflections | 0.1513 |
Weighted residual factors for all reflections included in the refinement | 0.1763 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0462 |
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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The link is: https://www.crystallography.net/1553265.html
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Users of the data should acknowledge the original authors of the
structural data.