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Information card for entry 1554288
Preview
Coordinates | 1554288.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H20 O |
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Calculated formula | C31 H20 O |
SMILES | O=C1C(=C(c2c1cc(cc2)c1cccc2ccccc12)c1ccccc1)c1ccccc1 |
Title of publication | Rhodium-catalyzed decarbonylative cycloadditions of 1H-indene-1,2,3-triones and alkynes via direct C‒C bond activation: divergent synthesis of indenones and quinones |
Authors of publication | Guo, Weijie; Wu, Shutao; Wang, Tao; Xie, Qingxiao; Duan, Yulian; Luo, Siyuan; Wang, Jianhui; Yu, Xiaobo |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2018 |
Journal volume | 5 |
Journal issue | 10 |
Pages of publication | 1613 |
a | 8.4085 ± 0.0015 Å |
b | 9.35 ± 0.0016 Å |
c | 14.153 ± 0.003 Å |
α | 105.907 ± 0.01° |
β | 95.411 ± 0.018° |
γ | 97.753 ± 0.013° |
Cell volume | 1050.2 ± 0.4 Å3 |
Cell temperature | 128 ± 2 K |
Ambient diffraction temperature | 128 ± 2 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 | 0.0583 |
Residual factor for significantly intense reflections | 0.0427 |
Weighted residual factors for significantly intense reflections | 0.1172 |
Weighted residual factors for all reflections included in the refinement | 0.1221 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
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/1554288.html
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Users of the data should acknowledge the original authors of the
structural data.