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Information card for entry 4063595
Preview
Coordinates | 4063595.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H44 Li2 O6 |
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Calculated formula | C30 H44 Li2 O6 |
SMILES | [cH]1([cH]2[c]34[c]5(cccc4)[cH]14)[Li]23451([O](C)CC[O]1C)[O](C)CC[O](C)[Li]12345([O](C)CC[O]1C)[cH]1[cH]2[c]23cccc[c]42[cH]15 |
Title of publication | Revealing Coordination Patterns in C5-Cyclic Lithium Organics |
Authors of publication | Michel, Reent; Herbst-Irmer, Regine; Stalke, Dietmar |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 16 |
Pages of publication | 4379 |
a | 8.881 ± 0.002 Å |
b | 13.654 ± 0.002 Å |
c | 12.272 ± 0.002 Å |
α | 90° |
β | 90.04 ± 0.02° |
γ | 90° |
Cell volume | 1488.1 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0424 |
Residual factor for significantly intense reflections | 0.0372 |
Weighted residual factors for significantly intense reflections | 0.0955 |
Weighted residual factors for all reflections included in the refinement | 0.0993 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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