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Information card for entry 4112750
Preview
Coordinates | 4112750.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H29 N O2 |
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Calculated formula | C15 H29 N O2 |
SMILES | N([C@]1(C[C@H]1C(=O)OC)C(C)(C)C)(C(C)C)C(C)C.N([C@@]1(C[C@@H]1C(=O)OC)C(C)(C)C)(C(C)C)C(C)C |
Title of publication | Synthesis, Reactivity, and Ligand Properties of a Stable Alkyl Carbene |
Authors of publication | Vincent Lavallo; John Mafhouz; Yves Canac; Bruno Donnadieu; Wolfgand W. Schoeller |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2004 |
Journal volume | 126 |
Pages of publication | 8670 - 8671 |
a | 15.367 ± 0.002 Å |
b | 8.8154 ± 0.0014 Å |
c | 12.4772 ± 0.0019 Å |
α | 90° |
β | 113.926 ± 0.003° |
γ | 90° |
Cell volume | 1545 ± 0.4 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0584 |
Residual factor for significantly intense reflections | 0.0434 |
Weighted residual factors for significantly intense reflections | 0.1083 |
Weighted residual factors for all reflections included in the refinement | 0.1178 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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