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Information card for entry 1568046
Preview
Coordinates | 1568046.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H56 O5 |
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Calculated formula | C51 H56 O5 |
Title of publication | Inherently chiral calixarenes by a catalytic enantioselective desymmetrizing cross-dehydrogenative coupling. |
Authors of publication | Zhang, Xin; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang |
Journal of publication | Chemical science |
Year of publication | 2023 |
Journal volume | 14 |
Journal issue | 4 |
Pages of publication | 827 - 832 |
a | 9.359 ± 0.0001 Å |
b | 12.7052 ± 0.0001 Å |
c | 18.7749 ± 0.0001 Å |
α | 80.266 ± 0.001° |
β | 79.829 ± 0.001° |
γ | 76.85 ± 0.001° |
Cell volume | 2120.34 ± 0.03 Å3 |
Cell temperature | 172.99 ± 0.1 K |
Ambient diffraction temperature | 172.99 ± 0.1 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 | 0.0683 |
Residual factor for significantly intense reflections | 0.062 |
Weighted residual factors for significantly intense reflections | 0.1623 |
Weighted residual factors for all reflections included in the refinement | 0.1663 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
281363 (current) | 2023-03-04 | cif/ Updating files of 1568045, 1568046 Original log message: Adding full bibliography for 1568045--1568046.cif. |
1568046.cif |
279741 | 2022-12-07 | cif/ Adding structures of 1568045, 1568046 via cif-deposit CGI script. |
1568046.cif |
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