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Information card for entry 1552264
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Coordinates | 1552264.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (2,2'-(propane-2,2-diyl)bis(4,5-dihydrooxazole-4,2-diyl))dimethanol |
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Formula | C25 H26 N2 O4 |
Calculated formula | C25 H26 N2 O4 |
SMILES | C([C@@H]1N=C(c2c3C4(c5c(C6=N[C@@H](CO)CO6)cccc5CC4)CCc3ccc2)OC1)O |
Title of publication | A Mild Catalytic Synthesis of 2-Oxazolines via Oxetane Ring-Opening: Rapid Access to A Diverse Family of Natural Products |
Authors of publication | Huang, Hai; Yang, Wen; Zhang, Zuliang; Lai, Zengwei; Sun, Jianwei |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 12.1435 ± 0.0003 Å |
b | 10.3089 ± 0.0002 Å |
c | 8.5206 ± 0.0002 Å |
α | 90° |
β | 106.293 ± 0.003° |
γ | 90° |
Cell volume | 1023.82 ± 0.04 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0233 |
Residual factor for significantly intense reflections | 0.023 |
Weighted residual factors for significantly intense reflections | 0.061 |
Weighted residual factors for all reflections included in the refinement | 0.0612 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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