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Information card for entry 7016577
Preview
Coordinates | 7016577.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H44 Er Li N4 O3 |
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Calculated formula | C36 H44 Er Li N4 O3 |
SMILES | [Er]123456789%10([NH]=C%11[N]1=C(N([Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)c1c%11cccc1)c1c(N2)cccc1)([cH]1[cH]3[cH]6[cH]5[cH]41)[cH]1[cH]7[cH]%10[cH]9[cH]81 |
Title of publication | Rare-earth metal-mediated addition/cyclization of the 2-cyanobenzoamino anion. |
Authors of publication | Zhang, Jie; Han, Yanan; Chen, Zhenxia; Zhou, Xigeng |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 36 |
Pages of publication | 9098 - 9100 |
a | 13.067 ± 0.004 Å |
b | 20.093 ± 0.006 Å |
c | 14.494 ± 0.005 Å |
α | 90° |
β | 115.783 ± 0.004° |
γ | 90° |
Cell volume | 3426.6 ± 1.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1 |
Residual factor for significantly intense reflections | 0.0387 |
Weighted residual factors for significantly intense reflections | 0.038 |
Weighted residual factors for all reflections included in the refinement | 0.0441 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.78 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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