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Information card for entry 1568270
Preview
Coordinates | 1568270.cif |
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Original paper (by DOI) | HTML |
Formula | C60 H68 N4 O8 |
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Calculated formula | C60 H68 N4 O8 |
Title of publication | Cyclo[2]carbazole[2]pyrrole: a preorganized calix[4]pyrrole analogue. |
Authors of publication | Lee, Areum; Yang, Ju Ho; Oh, Ju Hyun; Hay, Benjamin P.; Lee, Kyounghoon; Lynch, Vincent M.; Sessler, Jonathan L.; Kim, Sung Kuk |
Journal of publication | Chemical science |
Year of publication | 2023 |
Journal volume | 14 |
Journal issue | 5 |
Pages of publication | 1218 - 1226 |
a | 15.9159 ± 0.0003 Å |
b | 21.273 ± 0.0004 Å |
c | 18.676 ± 0.0003 Å |
α | 90° |
β | 107.116 ± 0.001° |
γ | 90° |
Cell volume | 6043.25 ± 0.19 Å3 |
Cell temperature | 173.15 K |
Ambient diffraction temperature | 173.15 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0894 |
Residual factor for significantly intense reflections | 0.0631 |
Weighted residual factors for significantly intense reflections | 0.1663 |
Weighted residual factors for all reflections included in the refinement | 0.1846 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
281356 (current) | 2023-03-04 | cif/ Updating files of 1568270, 1568271 Original log message: Adding full bibliography for 1568270--1568271.cif. |
1568270.cif |
280313 | 2023-01-13 | cif/ Adding structures of 1568270, 1568271 via cif-deposit CGI script. |
1568270.cif |
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Users of the data should acknowledge the original authors of the
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