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Information card for entry 4032011
Preview
Coordinates | 4032011.cif |
---|---|
Original paper (by DOI) | HTML |
External links | PubChem |
Formula | C24 H21 B2 F8 N3 |
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Calculated formula | C24 H21 B2 F8 N3 |
Title of publication | Synthesis, Structure, and Photochemical Behavior of [5]Heli-viologen Isomers. |
Authors of publication | Zhang, Xiaoping; Clennan, Edward L.; Arulsamy, Navamoney; Weber, Rachael; Weber, Jacob |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 13 |
Pages of publication | 5474 - 5486 |
a | 22.7449 ± 0.0006 Å |
b | 19.7482 ± 0.0006 Å |
c | 11.4956 ± 0.0003 Å |
α | 90° |
β | 115.335 ± 0.001° |
γ | 90° |
Cell volume | 4666.9 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0989 |
Residual factor for significantly intense reflections | 0.0745 |
Weighted residual factors for significantly intense reflections | 0.2156 |
Weighted residual factors for all reflections included in the refinement | 0.2443 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4032011.cif |
184162 | 2016-07-04 | cif/ Adding structures of 4032011 via cif-deposit CGI script. |
4032011.cif |
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Users of the data should acknowledge the original authors of the
structural data.