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Information card for entry 7104178
Preview
Coordinates | 7104178.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H20 N2 Na O2 P |
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Calculated formula | C14 H20 N2 Na O2 P |
SMILES | P1=Nc2ccccc2[N-]1.[Na+]([O]1CCCC1)[O]1CCCC1 |
Title of publication | Benzo-1,3,2-diazaphospholide and benzo-1,3,2-diazaphospholium: an isoelectronic aromatic anion-cation pair. |
Authors of publication | Schmid, Dirk; Loscher, Sebastian; Gudat, Dietrich; Bubrin, Denis; Hartenbach, Ingo; Schleid, Thomas; Benko, Zoltán; Nyulászi, László |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2009 |
Journal volume | 34 |
Journal issue | 7 |
Pages of publication | 830 - 832 |
a | 15.402 ± 0.004 Å |
b | 8.6206 ± 0.0015 Å |
c | 12.5 ± 0.003 Å |
α | 90° |
β | 97.22 ± 0.02° |
γ | 90° |
Cell volume | 1646.6 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0399 |
Residual factor for significantly intense reflections | 0.0362 |
Weighted residual factors for significantly intense reflections | 0.0971 |
Weighted residual factors for all reflections included in the refinement | 0.0987 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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