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Information card for entry 2211152
Preview
Coordinates | 2211152.cif |
---|---|
Structure factors | 2211152.hkl |
Original IUCr paper | HTML |
Chemical name | (±)-2,4-Dichloro-6-{(RS)-phenyl[(1RS)-1,2,3,4- tetrahydronaphthalen-1-ylamino]methyl}phenol |
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Formula | C23 H21 Cl2 N O |
Calculated formula | C23 H21 Cl2 N O |
SMILES | Clc1c(O)c(cc(Cl)c1)[C@@H](N[C@H]1CCCc2ccccc12)c1ccccc1.Clc1c(O)c(cc(Cl)c1)[C@H](N[C@@H]1CCCc2ccccc12)c1ccccc1 |
Title of publication | (±)-2,4-Dichloro-6-{(<i>RS</i>)-phenyl[(1<i>RS</i>)-1,2,3,4-tetrahydronaphthalen-1-ylamino]methyl}phenol |
Authors of publication | Guang-You Zhang; Wan-Hui Wang; Jian-Guo Chang; Hai-Min Zhang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 11 |
Pages of publication | o5288 - o5289 |
a | 9.3022 ± 0.0008 Å |
b | 10.0796 ± 0.0008 Å |
c | 12.4308 ± 0.0016 Å |
α | 106.943 ± 0.002° |
β | 107.763 ± 0.002° |
γ | 103.657 ± 0.002° |
Cell volume | 991.92 ± 0.17 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0623 |
Residual factor for significantly intense reflections | 0.0441 |
Weighted residual factors for significantly intense reflections | 0.1336 |
Weighted residual factors for all reflections included in the refinement | 0.1523 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2211152.html
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