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Information card for entry 4032394
Preview
Coordinates | 4032394.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H22 O4 |
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Calculated formula | C17 H22 O4 |
SMILES | o1c(ccc1)[C@H](O)[C@]12[C@@](CCC=C(C)C)([C@@H]2COC1=O)C.o1c([C@@H](O)[C@@]23[C@](CCC=C(C)C)([C@H]3COC2=O)C)ccc1 |
Title of publication | Diastereoselective Total Synthesis of (±)-Basiliolide B and (±)-epi-8-Basiliolide B. |
Authors of publication | Liang, Xuefeng; Zhou, Liyan; Min, Long; Ye, Weijian; Bao, Wenli; Ma, Wenjing; Yang, Qianqian; Qiao, Fangfang; Zhang, Xinhao; Lee, Chi-Sing |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
a | 10.1003 ± 0.0002 Å |
b | 22.3395 ± 0.0004 Å |
c | 13.9474 ± 0.001 Å |
α | 90° |
β | 90.142 ± 0.006° |
γ | 90° |
Cell volume | 3147 ± 0.2 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0851 |
Residual factor for significantly intense reflections | 0.0679 |
Weighted residual factors for significantly intense reflections | 0.1871 |
Weighted residual factors for all reflections included in the refinement | 0.2146 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4032394.html
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