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Information card for entry 7155361
Preview
Coordinates | 7155361.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H25 Br O3 |
---|---|
Calculated formula | C24 H25 Br O3 |
SMILES | C1=C2[C@@]3([C@](CC1)(CC3)C)O[C@H](c1c(cc(cc21)OC)OC)c1ccc(cc1)Br.C1=C2[C@]3([C@@](CC1)(CC3)C)O[C@@H](c1c(cc(cc21)OC)OC)c1ccc(cc1)Br |
Title of publication | Gold(i)-catalyzed addition of aldehydes to cyclopropylidene bearing 6-aryl-1,5-enynes. |
Authors of publication | Roselli, Christina A.; Gagné, Michel R |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2016 |
Journal volume | 14 |
Journal issue | 47 |
Pages of publication | 11261 - 11265 |
a | 11.9878 ± 0.0006 Å |
b | 13.1429 ± 0.0007 Å |
c | 14.8309 ± 0.0008 Å |
α | 72.229 ± 0.002° |
β | 86.297 ± 0.002° |
γ | 66.705 ± 0.002° |
Cell volume | 2039.57 ± 0.19 Å3 |
Cell temperature | 100.15 K |
Ambient diffraction temperature | 100.15 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0283 |
Residual factor for significantly intense reflections | 0.0262 |
Weighted residual factors for significantly intense reflections | 0.066 |
Weighted residual factors for all reflections included in the refinement | 0.0674 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
203412 (current) | 2017-11-21 | cif/7 Fixing Z values and formulae accordingly. |
7155361.cif |
190272 | 2017-01-09 | cif/ Updating files of 7155361 Original log message: Adding full bibliography for 7155361.cif. |
7155361.cif |
188403 | 2016-11-12 | cif/ Adding structures of 7155361 via cif-deposit CGI script. |
7155361.cif |
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Users of the data should acknowledge the original authors of the
structural data.