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Information card for entry 7218820
Preview
Coordinates | 7218820.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H42 N2 O6 |
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Calculated formula | C38 H42 N2 O6 |
SMILES | N1([C@@H]2c3cc(Oc4c5[C@@H](N(CCc5cc(OC)c4OC)C)Cc4ccc(OC)c(Oc5ccc(C2)cc5)c4)c(OC)cc3CC1)C |
Title of publication | Synthesis, crystal structures and phase transformation of the new solid-state forms of tetrandrine |
Authors of publication | Zhou, Zhengzheng; Tong, Henry H. Y.; Li, Liang; Shek, Fanny L. Y.; Lv, Yang; Zheng, Ying |
Journal of publication | RSC Adv. |
Year of publication | 2014 |
Journal volume | 4 |
Journal issue | 107 |
Pages of publication | 62586 |
a | 7.12371 ± 0.0001 Å |
b | 11.92092 ± 0.00016 Å |
c | 38.3027 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3252.71 ± 0.08 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
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 | 0.0358 |
Residual factor for significantly intense reflections | 0.0323 |
Weighted residual factors for significantly intense reflections | 0.0773 |
Weighted residual factors for all reflections included in the refinement | 0.0797 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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