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Information card for entry 1555557
Preview
Coordinates | 1555557.cif |
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Original paper (by DOI) | HTML |
Formula | C91 H80 Cl2 O12 |
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Calculated formula | C91 H80 Cl2 O12 |
Title of publication | Syntheses and Structures of Functionalized [9]Cycloparaphenylenes as Carbon Nanohoops Bearing Carbomethoxy and N-Phenylphthalimido Groups. |
Authors of publication | Li, Shuangjiang; Huang, Changfeng; Thakellapalli, Haresh; Farajidizaji, Behzad; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K. |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 9 |
Pages of publication | 2268 - 2271 |
a | 14.0233 ± 0.0008 Å |
b | 16.2794 ± 0.001 Å |
c | 19.2082 ± 0.0011 Å |
α | 66.9176 ± 0.0015° |
β | 72.0505 ± 0.0016° |
γ | 77.5633 ± 0.0016° |
Cell volume | 3815.2 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1362 |
Residual factor for significantly intense reflections | 0.0792 |
Weighted residual factors for significantly intense reflections | 0.1516 |
Weighted residual factors for all reflections included in the refinement | 0.188 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1555557.html
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