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Information card for entry 1505361
Preview
Coordinates | 1505361.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H21 O9 |
---|---|
Calculated formula | C68 H21 O9 |
SMILES | o1c2C3(O)c4c5c6c7c8c9c%10c%11c%12c9c9c%13c%14c%12c%12c%15c%11c%11c%16c%10c7c7c5c3c3c(c%167)c5c%11c%15c7c%10c%12c%14c%11c%12c%13c%13c9c8c6c6c%13c(c%12C8(OC)c%11c%10C9(OOC(C)(C)C)c7c5C3(OOC(C)(C)C)c2c9c18)OC(=O)c46 |
Title of publication | From fullerene-mixed peroxide to open-cage oxafulleroid C(59)(O)(3)(OH)(2)(OO(t)()Bu)(2) embedded with furan and lactone motifs. |
Authors of publication | Wang, Fudong; Xiao, Zuo; Gan, Liangbing; Jia, Zhenshan; Jiang, Zhongping; Zhang, Shiwei; Zheng, Bo; Gu, Yuan |
Journal of publication | Organic letters |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 9 |
Pages of publication | 1741 - 1743 |
a | 35.284 ± 0.007 Å |
b | 14.2 ± 0.003 Å |
c | 18.567 ± 0.004 Å |
α | 90° |
β | 116.7 ± 0.03° |
γ | 90° |
Cell volume | 8311 ± 4 Å3 |
Cell temperature | 143 ± 2 K |
Ambient diffraction temperature | 143 ± 2 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.126 |
Residual factor for significantly intense reflections | 0.0617 |
Weighted residual factors for significantly intense reflections | 0.147 |
Weighted residual factors for all reflections included in the refinement | 0.1621 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1505361.html
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Users of the data should acknowledge the original authors of the
structural data.