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Information card for entry 7108277
Preview
Coordinates | 7108277.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H35 F3 N2 O3 S |
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Calculated formula | C30 H35 F3 N2 O3 S |
SMILES | S(=O)(=O)([O-])C(F)(F)F.[N+]1(c2c(cc(cc2C)C)C)C([C@H](N(c2c(cc(cc2C)C)C)C=1)c1ccccc1)(C)C |
Title of publication | Tailor-made synthesis of various backbone-substituted imidazolinium salts by triflic anhydride mediated intramolecular cyclisation |
Authors of publication | Jun Zhang; Xiaolong Su; Jun Fu; Xinke Qin; Meixin Zhao; Min Shi |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 9192 |
a | 11.5154 ± 0.0005 Å |
b | 14.5123 ± 0.0006 Å |
c | 17.4192 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2911 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1271 |
Residual factor for significantly intense reflections | 0.0797 |
Weighted residual factors for significantly intense reflections | 0.2218 |
Weighted residual factors for all reflections included in the refinement | 0.2624 |
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/7108277.html
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