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Information card for entry 7239033
Preview
Coordinates | 7239033.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H28 O |
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Calculated formula | C36 H28 O |
Title of publication | Synthesis of cyclopentadienyl alkyl ethers via Pd-catalyzed cyclotrimerization of diarylacetylenes |
Authors of publication | Cai, Ranran; Huang, Mengmeng; Cui, Xiuling; Zhang, Jianye; Du, Chenxia; Wu, Yusheng; Wu, Yangjie |
Journal of publication | RSC Advances |
Year of publication | 2013 |
Journal volume | 3 |
Journal issue | 32 |
Pages of publication | 13140 |
a | 10.131 ± 0.003 Å |
b | 10.15 ± 0.002 Å |
c | 14.682 ± 0.004 Å |
α | 99.93 ± 0.02° |
β | 93.55 ± 0.02° |
γ | 114.56 ± 0.03° |
Cell volume | 1337.5 ± 0.7 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291.15 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 | 0.0672 |
Residual factor for significantly intense reflections | 0.0451 |
Weighted residual factors for significantly intense reflections | 0.1212 |
Weighted residual factors for all reflections included in the refinement | 0.1409 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
244514 (current) | 2019-11-28 | cif/ Adding structures of 7239031, 7239032, 7239033 via cif-deposit CGI script. |
7239033.cif |
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Users of the data should acknowledge the original authors of the
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