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Information card for entry 4068526
Preview
Coordinates | 4068526.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H39 Al N2 O |
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Calculated formula | C31 H39 Al N2 O |
SMILES | [Al](OC(c1n(cc[n+]1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1ccccc1)(C)(C)C |
Title of publication | Synthesis and Structure of an Amino-Linked N-Heterocyclic Carbene and the Reactivity of its Aluminum Adduct |
Authors of publication | Shih, Wei-Chih; Wang, Chun-Han; Chang, Yang-Ting; Yap, Glenn P. A.; Ong, Tiow-Gan |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 4 |
Pages of publication | 1060 |
a | 9.507 ± 0.0002 Å |
b | 15.8593 ± 0.0004 Å |
c | 19.3497 ± 0.0005 Å |
α | 90° |
β | 92.588 ± 0.001° |
γ | 90° |
Cell volume | 2914.46 ± 0.12 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.115 |
Residual factor for significantly intense reflections | 0.0549 |
Weighted residual factors for significantly intense reflections | 0.1257 |
Weighted residual factors for all reflections included in the refinement | 0.1513 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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