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Information card for entry 1551882
Preview
Coordinates | 1551882.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H17 N5 O2 |
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Calculated formula | C17 H17 N5 O2 |
SMILES | O(CC)C(=O)/C(=N/Nc1c2ncccc2ccc1)c1nccn1C |
Title of publication | A switching cascade of hydrazone-based rotary switches through coordination-coupled proton relays |
Authors of publication | Debdas Ray; Justin T. Foy; Russell P. Hughes; Ivan Aprahamian |
Journal of publication | Nature Chemistry |
Year of publication | 2012 |
Journal volume | 4 |
Pages of publication | 757 - 762 |
a | 15.1905 ± 0.0002 Å |
b | 14.3672 ± 0.0002 Å |
c | 7.2454 ± 0.0001 Å |
α | 90° |
β | 96.624 ± 0.001° |
γ | 90° |
Cell volume | 1570.72 ± 0.04 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 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 | 0.0389 |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for significantly intense reflections | 0.0877 |
Weighted residual factors for all reflections included in the refinement | 0.0911 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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216524 (current) | 2019-06-25 | cif/ Adding structures of 1551882 via cif-deposit CGI script. |
1551882.cif |
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