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Information card for entry 1555328
Preview
Coordinates | 1555328.cif |
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Original paper (by DOI) | HTML |
Formula | C35 H30 Br F N4 O4 |
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Calculated formula | C35 H30 Br F N4 O4 |
SMILES | F[C@@]1(C(=NN(c2ccccc2)C1=O)c1ccc(Br)cc1)[C@@]1(NC(=O)OC(C)(C)C)C(=O)N(Cc2ccccc2)c2ccccc12 |
Title of publication | An Organocatalytic Asymmetric Friedel-Crafts Addition/Fluorination Sequence: Construction of Oxindole-Pyrazolone Conjugates Bearing Vicinal Tetrasubstituted Stereocenters. |
Authors of publication | Bao, Xiaoze; Wang, Baomin; Cui, Longchen; Zhu, Guodong; He, Yuli; Qu, Jingping; Song, Yuming |
Journal of publication | Organic letters |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 21 |
Pages of publication | 5168 - 5171 |
a | 8.4125 ± 0.0004 Å |
b | 9.7659 ± 0.0005 Å |
c | 11.5692 ± 0.0006 Å |
α | 108.577 ± 0.003° |
β | 95.876 ± 0.003° |
γ | 110.228 ± 0.003° |
Cell volume | 820.9 ± 0.08 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.043 |
Residual factor for significantly intense reflections | 0.0366 |
Weighted residual factors for significantly intense reflections | 0.0948 |
Weighted residual factors for all reflections included in the refinement | 0.098 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1555328.html
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