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Information card for entry 1503207
Preview
Coordinates | 1503207.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H10 Br2 Cl3 N O2 |
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Calculated formula | C10 H10 Br2 Cl3 N O2 |
SMILES | Brc1n2c(cc1Br)[C@@](O)(C(Cl)(Cl)Cl)[C@H](CO)[C@H]2C |
Title of publication | Organocatalytic asymmetric synthesis of chiral pyrrolizines by cascade conjugate addition-aldol reactions. |
Authors of publication | Bae, Ju-Yeon; Lee, Hyo-Jun; Youn, Seok-Ho; Kwon, Su-Hyun; Cho, Chang-Woo |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 19 |
Pages of publication | 4352 - 4355 |
a | 8.573 ± 0.0004 Å |
b | 9.9838 ± 0.0004 Å |
c | 16.5361 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1415.34 ± 0.11 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0716 |
Residual factor for significantly intense reflections | 0.0384 |
Weighted residual factors for significantly intense reflections | 0.0586 |
Weighted residual factors for all reflections included in the refinement | 0.0857 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
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/1503207.html
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