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Information card for entry 7117327
Preview
Coordinates | 7117327.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H23 N O4 |
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Calculated formula | C24 H23 N O4 |
SMILES | O(C(=O)[C@@]1(OCCN(c2ccccc2O)[C@@H]1c1ccccc1)c1ccccc1)C.O(C(=O)[C@]1(OCCN(c2ccccc2O)[C@H]1c1ccccc1)c1ccccc1)C |
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 | 9.9379 ± 0.0006 Å |
b | 10.0008 ± 0.0006 Å |
c | 10.8276 ± 0.0006 Å |
α | 96.918 ± 0.002° |
β | 104.753 ± 0.002° |
γ | 99.92 ± 0.002° |
Cell volume | 1009.72 ± 0.1 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0825 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.0989 |
Weighted residual factors for all reflections included in the refinement | 0.1226 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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