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Information card for entry 7153897
Preview
Coordinates | 7153897.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H17 F O4 |
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Calculated formula | C14 H17 F O4 |
SMILES | Fc1ccc2[C@@H]([C@](O)(COc2c1)CC(=O)O)C(C)C.Fc1ccc2[C@H]([C@@](O)(COc2c1)CC(=O)O)C(C)C |
Title of publication | Efficient synthesis of mibefradil analogues: an insight into in vitro stability. |
Authors of publication | Lee, Ji Eun; Kwon, Tae Hui; Gu, Su Jin; Lee, Duck-Hyung; Kim, B. Moon; Lee, Jae Yeol; Lee, Jae Kyun; Seo, Seon Hee; Pae, Ae Nim; Keum, Gyochang; Cho, Yong Seo; Min, Sun-Joon |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2014 |
Journal volume | 12 |
Journal issue | 30 |
Pages of publication | 5669 - 5681 |
a | 7.0995 ± 0.0008 Å |
b | 8.0775 ± 0.0009 Å |
c | 11.9904 ± 0.0015 Å |
α | 89.359 ± 0.004° |
β | 77.992 ± 0.004° |
γ | 74.584 ± 0.004° |
Cell volume | 647.65 ± 0.13 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.0397 |
Weighted residual factors for all reflections included in the refinement | 0.1215 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
Diffraction radiation wavelength | 0.71075 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/7153897.html
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