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Information card for entry 1517904
Preview
Coordinates | 1517904.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H42 O5 |
---|---|
Calculated formula | C46 H42 O5 |
SMILES | O([C@@H]1[C@@H](c2ccc(cc2)c2ccccc2)[C@@H]2[C@@]3(C(=O)OC)[C@H]4[C@H]5[C@@H]2C2[C@]([C@@H]34)(CCCC1=2)[C@@H](C=C5C(=O)OC)c1ccc(cc1)c1ccccc1)C |
Title of publication | Synthesis of Complex Hexacyclic Compounds via a Tandem Rh(II)-Catalyzed Double-Cyclopropanation/Cope Rearrangement/Diels-Alder Reaction. |
Authors of publication | Spangler, Jillian E.; Lian, Yajing; Raikar, Sandeep N.; Davies, Huw M. L. |
Journal of publication | Organic letters |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 18 |
Pages of publication | 4794 - 4797 |
a | 6.4278 ± 0.0008 Å |
b | 20.659 ± 0.003 Å |
c | 26.404 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3506.2 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.03 |
Residual factor for significantly intense reflections | 0.0277 |
Weighted residual factors for significantly intense reflections | 0.066 |
Weighted residual factors for all reflections included in the refinement | 0.0679 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1517904.html
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