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Information card for entry 4109780
Preview
Coordinates | 4109780.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H38 N2 O4 |
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Calculated formula | C28 H38 N2 O4 |
Title of publication | Conformationally Constrained, Stable, Triplet Ground State (S=1) Nitroxide Diradicals. Antiferromagnetic Chains of S=1 Diradicals |
Authors of publication | Andrzej Rajca; Masahiro Takahashi; Maren Pink; Gaëlle Spagnol; Suchada Rajca |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 10159 - 10170 |
a | 8.658 ± 0.005 Å |
b | 20.436 ± 0.011 Å |
c | 28.965 ± 0.017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5125 ± 5 Å3 |
Cell temperature | 95 ± 2 K |
Ambient diffraction temperature | 95 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1937 |
Residual factor for significantly intense reflections | 0.1178 |
Weighted residual factors for significantly intense reflections | 0.2739 |
Weighted residual factors for all reflections included in the refinement | 0.3285 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
Diffraction radiation wavelength | 0.43321 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178843 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/97. |
4109780.cif |
120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109780.cif |
58558 | 2012-05-29 | cif/ Adding structures of 4109780 via cif-deposit CGI script. |
4109780.cif |
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Users of the data should acknowledge the original authors of the
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