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Information card for entry 4032075
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4032075.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H37 N O5 |
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Calculated formula | C40 H37 N O5 |
SMILES | O(C(=O)/C(=C\1OC2=C([C@@H](c3ccc4ccccc4c3)C1)CN(C2=O)Cc1ccccc1)Cc1ccc2c(cccc2)c1)CC.OC |
Title of publication | Phosphine-Catalyzed Enantioselective [2+4] Cycloaddition to Synthesize Pyrrolidin-2-one Fused Dihydropyrans Using α-Substituted Allenoates as C2 Synthons. |
Authors of publication | Wang, Chang; Jia, Hao; Zhang, Cheng; Gao, Zhenzhen; Zhou, Leijie; Yuan, Chunhao; Xiao, Yumei; Guo, Hongchao |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 1 |
Pages of publication | 633 - 641 |
a | 14.9261 ± 0.0002 Å |
b | 12.3367 ± 0.0001 Å |
c | 18.0148 ± 0.0002 Å |
α | 90° |
β | 107.369 ± 0.001° |
γ | 90° |
Cell volume | 3165.97 ± 0.06 Å3 |
Cell temperature | 108.1 K |
Ambient diffraction temperature | 108.1 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0394 |
Residual factor for significantly intense reflections | 0.0378 |
Weighted residual factors for significantly intense reflections | 0.0982 |
Weighted residual factors for all reflections included in the refinement | 0.0999 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 1.5418 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/4032075.html
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structural data.