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Information card for entry 7039550
Preview
Coordinates | 7039550.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H77 Al2 D6 K2 N4 O2 |
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Calculated formula | C52 H64 Al2 K2 N4 O2 |
SMILES | [Al]([O]12[K]3([N](=C4[C@@](Nc5ccccc5)(CC[C@H](C4)C(=C)C)C)[O]3([Al](C)(C)C)[K]1)[N]2=C1[C@@](Nc2ccccc2)(CC[C@H](C1)C(=C)C)C)(C)(C)C.c1(ccccc1)C.c1(ccccc1)C |
Title of publication | Synthesis of novel chiral heterometallic terpene oximates: unusual generation of an aluminium enolate by a cooperative effect. |
Authors of publication | Fernández-Millán, María; Temprado, Manuel; Cano, Jesús; Cuenca, Tomás; Mosquera, Marta E. G. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 26 |
Pages of publication | 10514 - 10518 |
a | 11.9997 ± 0.0017 Å |
b | 32.297 ± 0.009 Å |
c | 15.606 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6048 ± 3 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 7 |
Space group number | 18 |
Hermann-Mauguin space group symbol | P 21 21 2 |
Hall space group symbol | P 2 2ab |
Residual factor for all reflections | 0.1028 |
Residual factor for significantly intense reflections | 0.079 |
Weighted residual factors for significantly intense reflections | 0.206 |
Weighted residual factors for all reflections included in the refinement | 0.2251 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7039550.html
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Users of the data should acknowledge the original authors of the
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