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Information card for entry 4030059
Preview
Coordinates | 4030059.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H28 O2 |
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Calculated formula | C27 H28 O2 |
SMILES | C1(C(=C2CCC(=C12)c1ccccc1)c1c(C)cc(C)c(C)c1)(C(=C)C)OC(=O)C |
Title of publication | Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes. |
Authors of publication | Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 23 |
Pages of publication | 11301 - 11315 |
a | 8.0397 ± 0.0002 Å |
b | 17.8239 ± 0.0006 Å |
c | 15.1921 ± 0.0005 Å |
α | 90° |
β | 104.068 ± 0.0013° |
γ | 90° |
Cell volume | 2111.71 ± 0.11 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.063 |
Residual factor for significantly intense reflections | 0.0477 |
Weighted residual factors for significantly intense reflections | 0.125 |
Weighted residual factors for all reflections included in the refinement | 0.1438 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4030059.html
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