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Information card for entry 7117328
Preview
Coordinates | 7117328.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H22 Br N O5 |
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Calculated formula | C25 H22 Br N O5 |
SMILES | Brc1ccc(cc1)[C@H]1N(c2c(O)cccc2)C(=O)C[C@]1(OCc1ccccc1)C(=O)OC.Brc1ccc(cc1)[C@@H]1N(c2c(O)cccc2)C(=O)C[C@@]1(OCc1ccccc1)C(=O)OC |
Title of publication | Divergent synthesis of chiral heterocycles via sequencing of enantioselective three-component reactions and one-pot subsequent cyclization reactions |
Authors of publication | Min Tang; Dong Xing; Haoxi Huang; Wenhao Hu |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 10612 |
a | 9.6542 ± 0.0008 Å |
b | 10.7705 ± 0.0009 Å |
c | 12.1323 ± 0.0009 Å |
α | 87.694 ± 0.002° |
β | 71.902 ± 0.002° |
γ | 69.127 ± 0.002° |
Cell volume | 1116.89 ± 0.16 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0401 |
Residual factor for significantly intense reflections | 0.0318 |
Weighted residual factors for significantly intense reflections | 0.077 |
Weighted residual factors for all reflections included in the refinement | 0.0887 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7117328.html
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