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Information card for entry 7226226
Preview
Coordinates | 7226226.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | anhydrous sibutramine hydrochloride enantiomer |
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Formula | C17 H27 Cl2 N |
Calculated formula | C17 H27 Cl2 N |
SMILES | [Cl-].Clc1ccc(C2(CCC2)[C@@H]([NH+](C)C)CC(C)C)cc1 |
Title of publication | Racemic compound and conglomerate of anhydrous sibutramine hydrochloride: a rare case of relative stability |
Authors of publication | Rosa, F.; Négrier, P.; Espeau, P. |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 36 |
Pages of publication | 6903 |
a | 12.0282 ± 0.0019 Å |
b | 9.0364 ± 0.0015 Å |
c | 8.1578 ± 0.0011 Å |
α | 90° |
β | 90.601 ± 0.009° |
γ | 90° |
Cell volume | 886.6 ± 0.2 Å3 |
Cell temperature | 295 ± 1 K |
Ambient diffraction temperature | 295 ± 1 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Diffraction radiation wavelength | 1.54056 Å |
Diffraction radiation type | CuKα~1~ |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
187043 (current) | 2016-10-08 | cif/ Updating files of 7226226 Original log message: Adding full bibliography for 7226226.cif. |
7226226.cif |
185759 | 2016-08-12 | cif/ Adding structures of 7226226 via cif-deposit CGI script. |
7226226.cif |
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