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Information card for entry 1543308
Preview
Coordinates | 1543308.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C61 H58 Cu F6 N2 O P3 |
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Calculated formula | C61 H58 Cu F6 N2 O P3 |
SMILES | [Cu]12([P](c3cc(cc(c3)C)C)(c3ccc4c(c3c3c([P]1(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)ccc1c3cccc1)cccc4)c1cc(cc(c1)C)C)[O]=C(N1c3[n]2cccc3CC1)C.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Direct Catalytic Asymmetric Mannich-Type Reaction of Alkylamides. |
Authors of publication | Arteaga, Fernando Arteaga; Liu, Zijian; Brewitz, Lennart; Chen, Jianyang; Sun, Bo; Kumagai, Naoya; Shibasaki, Masakatsu |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 10 |
Pages of publication | 2391 - 2394 |
a | 12.8125 ± 0.0002 Å |
b | 15.5638 ± 0.0003 Å |
c | 16.7344 ± 0.0003 Å |
α | 90° |
β | 110.994 ± 0.008° |
γ | 90° |
Cell volume | 3115.51 ± 0.19 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0721 |
Residual factor for significantly intense reflections | 0.0621 |
Weighted residual factors for significantly intense reflections | 0.1567 |
Weighted residual factors for all reflections included in the refinement | 0.1649 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
184961 (current) | 2016-08-05 | cif/ Updating files of 1543304, 1543305, 1543306, 1543307, 1543308, 1543309 Original log message: Adding full bibliography for 1543304--1543309.cif. |
1543308.cif |
182913 | 2016-05-13 | cif/ Adding structures of 1543308 via cif-deposit CGI script. |
1543308.cif |
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Users of the data should acknowledge the original authors of the
structural data.