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Information card for entry 1544169
Preview
Coordinates | 1544169.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H36 O3 |
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Calculated formula | C31 H36 O3 |
SMILES | Oc1c(C(C)(C)C)cc(cc1C(C)(C)C)/C(=C(\c1ccccc1)c1ccc(cc1)C)C(=O)OC |
Title of publication | Metathesis Reaction of Diazo Compounds and para-Quinone Methides for C-C Double Bond Formation: Synthesis of Tetrasubstituted Alkenes and Quinolinones. |
Authors of publication | Huang, Bo; Shen, Yangyong; Mao, Zhenjun; Liu, Yu; Cui, Sunliang |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 19 |
Pages of publication | 4888 - 4891 |
a | 9.6348 ± 0.0006 Å |
b | 11.1945 ± 0.0008 Å |
c | 13.2323 ± 0.0011 Å |
α | 107.248 ± 0.007° |
β | 100.253 ± 0.006° |
γ | 93.543 ± 0.005° |
Cell volume | 1331.24 ± 0.18 Å3 |
Cell temperature | 170 K |
Ambient diffraction temperature | 170 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0892 |
Residual factor for significantly intense reflections | 0.0537 |
Weighted residual factors for significantly intense reflections | 0.1269 |
Weighted residual factors for all reflections included in the refinement | 0.1515 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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