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Information card for entry 1506054
Preview
Coordinates | 1506054.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H38 N2 O |
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Calculated formula | C23 H38 N2 O |
SMILES | O=C1N([C@H]2C([C@H]3CC[C@@]2(C3)C)(C)C)CCN1[C@@H]1[C@@]2(CC[C@H](C1(C)C)C2)C |
Title of publication | Unexpected ring expansion of an enantiopure imidazoline carbene ligand. |
Authors of publication | Pelegrí, Adela Sanchez; Elsegood, Mark R. J.; McKee, Vickie; Weaver, George W. |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 14 |
Pages of publication | 3049 - 3051 |
a | 13.85 ± 0.004 Å |
b | 6.406 ± 0.002 Å |
c | 13.724 ± 0.004 Å |
α | 90° |
β | 120.28 ± 0.003° |
γ | 90° |
Cell volume | 1051.5 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0451 |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.1098 |
Weighted residual factors for all reflections included in the refinement | 0.1123 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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