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Information card for entry 1547023
Preview
Coordinates | 1547023.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H23 N O2 |
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Calculated formula | C16 H23 N O2 |
SMILES | O1C(=O)C(=C\C(C)C)\N=C2[C@H]1[C@@H]1C([C@]2(CC1)C)(C)C |
Title of publication | Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers. |
Authors of publication | Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 17 |
Pages of publication | 4660 - 4663 |
a | 9.80751 ± 0.00015 Å |
b | 6.84454 ± 0.00011 Å |
c | 11.263 ± 0.0002 Å |
α | 90° |
β | 105.833 ± 0.0018° |
γ | 90° |
Cell volume | 727.38 ± 0.02 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 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 |
Residual factor for all reflections | 0.0269 |
Residual factor for significantly intense reflections | 0.0267 |
Weighted residual factors for significantly intense reflections | 0.0702 |
Weighted residual factors for all reflections included in the refinement | 0.0704 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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