Information card for entry 2205973
Common name |
(1R*,2R*)-Di-tert-butyl N,N'-(cyclohexane-1,2-diyl)dicarbamate |
Chemical name |
(1R*,2R*)-Di-tert-butyl N,N'-(cyclohexane-1,2-diyl)dicarbamate |
Formula |
C16 H30 N2 O4 |
Calculated formula |
C16 H30 N2 O4 |
SMILES |
O=C(OC(C)(C)C)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C |
Title of publication |
(1<i>R</i>*,2<i>R</i>*)-Di-<i>tert</i>-butyl <i>N</i>,<i>N</i>'-(cyclohexane-1,2-diyl)dicarbamate |
Authors of publication |
Light, Mark E.; Andrea Ragusa; Jeremy D. Kilburn |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2005 |
Journal volume |
61 |
Journal issue |
6 |
Pages of publication |
o1956 - o1958 |
a |
18.856 ± 0.004 Å |
b |
9.311 ± 0.0019 Å |
c |
5.183 ± 0.001 Å |
α |
90° |
β |
101.04 ± 0.03° |
γ |
90° |
Cell volume |
893.1 ± 0.3 Å3 |
Cell temperature |
120 ± 2 K |
Ambient diffraction temperature |
120 ± 2 K |
Number of distinct elements |
4 |
Space group number |
5 |
Hermann-Mauguin space group symbol |
C 1 2 1 |
Hall space group symbol |
C 2y |
Residual factor for all reflections |
0.0413 |
Residual factor for significantly intense reflections |
0.0354 |
Weighted residual factors for significantly intense reflections |
0.0758 |
Weighted residual factors for all reflections included in the refinement |
0.0781 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.063 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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