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Information card for entry 7016831
Preview
Coordinates | 7016831.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H26 N2 O2 Se |
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Calculated formula | C30 H26 N2 O2 Se |
SMILES | [Se]12(N(C(=O)c3c2c(cc(c3)C(C)(C)C)C(=O)N1c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | Synthesis and structural characterization of pincer type bicyclic diacyloxy- and diazaselenuranes. |
Authors of publication | Selvakumar, K.; Singh, Harkesh B.; Goel, Nidhi; Singh, Udai P.; Butcher, Ray J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 38 |
Pages of publication | 9858 - 9867 |
a | 10.01795 ± 0.00014 Å |
b | 24.1373 ± 0.0002 Å |
c | 11.14207 ± 0.00015 Å |
α | 90° |
β | 115.585 ± 0.0017° |
γ | 90° |
Cell volume | 2430.03 ± 0.06 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0356 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for significantly intense reflections | 0.084 |
Weighted residual factors for all reflections included in the refinement | 0.0859 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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