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Information card for entry 4129868
Preview
Coordinates | 4129868.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H24 O3 |
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Calculated formula | C15 H24 O3 |
SMILES | OC[C@H]([C@H](O)[C@H]([C@H](O)CCc1ccccc1)C)C |
Title of publication | Catalytic Asymmetric Iterative/Domino Aldehyde Cross-Aldol Reactions for the Rapid and Flexible Synthesis of 1,3-Polyols. |
Authors of publication | Lin, Luqing; Yamamoto, Kumiko; Mitsunuma, Harunobu; Kanzaki, Yamato; Matsunaga, Shigeki; Kanai, Motomu |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Journal volume | 137 |
Journal issue | 49 |
Pages of publication | 15418 - 15421 |
a | 8.2912 ± 0.0002 Å |
b | 6.8967 ± 0.0002 Å |
c | 12.5196 ± 0.0003 Å |
α | 90° |
β | 91.6756 ± 0.0017° |
γ | 90° |
Cell volume | 715.59 ± 0.03 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0555 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.0727 |
Weighted residual factors for all reflections included in the refinement | 0.0903 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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