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Information card for entry 4027900
Preview
Coordinates | 4027900.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H17 F3 N2 O2 |
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Calculated formula | C20 H17 F3 N2 O2 |
SMILES | c12ccccc1[C@]13[C@H](N2C)Oc2c([C@H]1N(CC3)C(=O)C(F)(F)F)cccc2.c12ccccc1[C@@]13[C@@H](N2C)Oc2c([C@@H]1N(CC3)C(=O)C(F)(F)F)cccc2 |
Title of publication | Stereoselective Synthesis of Fused Spiroindolines via Tandem Mannich/Intramolecular Aminal Formation |
Authors of publication | Juan Yang; Xingang Xie; Zhengshen Wang; Ruoming Mei; Huaiji Zheng; Xiaolei Wang; Ling Zhang; Jing Qi; Xuegong She |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 1230 - 1235 |
a | 12.148 ± 0.007 Å |
b | 31.58 ± 0.019 Å |
c | 9.542 ± 0.006 Å |
α | 90° |
β | 102.717 ± 0.008° |
γ | 90° |
Cell volume | 3571 ± 4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1695 |
Residual factor for significantly intense reflections | 0.0822 |
Weighted residual factors for significantly intense reflections | 0.1589 |
Weighted residual factors for all reflections included in the refinement | 0.1963 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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