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Information card for entry 8000082
Preview
Coordinates | 8000082.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H15 N4 O6 |
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Calculated formula | C13 H15 N4 O6 |
SMILES | c1(cc(cc(c1)N(=O)=O)N(=O)=O)C1=N(C(C([N]1=O)(C)C)(C)C)=O |
Title of publication | An Enantiopair of Organic Ferromagnet Crystals Based on Helical Molecular Packing of Achiral Organic Radicals |
Authors of publication | Shiomi, Daisuke; Kanzaki, Yuki; Okada, Sho; Arima, Ryosuke; Miyazaki, Yuji; Inaba, Akira; Tanaka, Rika; Sato, Kazunobu; Takui, Takeji |
Journal of publication | The Journal of Physical Chemistry Letters |
Year of publication | 2011 |
Journal volume | 2 |
Journal issue | 24 |
Pages of publication | 3036 |
a | 10.6835 ± 0.0003 Å |
b | 10.6835 ± 0.0003 Å |
c | 12.9899 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1482.63 ± 0.07 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 78 |
Hermann-Mauguin space group symbol | P 43 |
Hall space group symbol | P 4cw |
Residual factor for all reflections | 0.0432 |
Residual factor for significantly intense reflections | 0.0417 |
Weighted residual factors for significantly intense reflections | 0.096 |
Weighted residual factors for all reflections included in the refinement | 0.0976 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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