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Information card for entry 7039838
Preview
Coordinates | 7039838.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H58 Al2 N4 O2 |
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Calculated formula | C54 H58 Al2 N4 O2 |
SMILES | c12c(cccc1)CCc1c(/N=C/c3cc(cc4c3O[Al]([N](c3c(cccc3)CCc3c(/N=C/c5cc(cc6C=[N]2[Al](CC)(CC)Oc56)C)cccc3)=C4)(CC)CC)C)cccc1 |
Title of publication | Structural studies of Schiff-base [2 + 2] macrocycles derived from 2,2'-oxydianiline and the ROP capability of their organoaluminium complexes. |
Authors of publication | Yang, Wenxue; Zhao, Ke-Qing; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Elsegood, Mark R. J.; Redshaw, Carl |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 30 |
Pages of publication | 11990 - 12005 |
a | 9.7916 ± 0.0005 Å |
b | 11.2215 ± 0.0004 Å |
c | 11.784 ± 0.0006 Å |
α | 84.624 ± 0.004° |
β | 66.196 ± 0.005° |
γ | 84.347 ± 0.004° |
Cell volume | 1176.81 ± 0.11 Å3 |
Cell temperature | 143 ± 2 K |
Ambient diffraction temperature | 143 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0742 |
Residual factor for significantly intense reflections | 0.047 |
Weighted residual factors for significantly intense reflections | 0.1154 |
Weighted residual factors for all reflections included in the refinement | 0.1271 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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