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Information card for entry 7117155
Preview
Coordinates | 7117155.cif |
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Original paper (by DOI) | HTML |
Formula | C11 H8 Br F3 N2 O |
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Calculated formula | C11 H8 Br F3 N2 O |
SMILES | Brc1cc2c(N(C(=O)C\2=N/CC(F)(F)F)C)cc1 |
Title of publication | The asymmetric synthesis of CF3-containing spiro[pyrrolidin-3,2'-oxindole] through the organocatalytic 1,3-dipolar cycloaddition reaction |
Authors of publication | Mingxia Ma; Yuanyuan Zhu; Quantao Sun; Xiaoyuan Li; Jinhuan Su; Long Zhao; Yanyan Zhao; Shuai Qiu; Wenjin Yan; Kairong Wang; Rui Wang |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 8789 |
a | 6.8291 ± 0.0012 Å |
b | 12.139 ± 0.002 Å |
c | 14.882 ± 0.003 Å |
α | 90° |
β | 101.467 ± 0.003° |
γ | 90° |
Cell volume | 1209.1 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0411 |
Residual factor for significantly intense reflections | 0.0301 |
Weighted residual factors for significantly intense reflections | 0.0769 |
Weighted residual factors for all reflections included in the refinement | 0.082 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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