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Information card for entry 4502770
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Coordinates | 4502770.cif |
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Original paper (by DOI) | HTML |
Common name | FINISRKRK794ETPY |
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Formula | C54 H57 N3 O11 |
Calculated formula | C54 H55 N3 O10.5 |
Title of publication | Pyridine Directed Assembly of Di-O-Alkyl-tris-p-Carboxylatocalix[4]arenes |
Authors of publication | Kennedy, Stuart; Dodgson, India E.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2012 |
Journal volume | 12 |
Journal issue | 2 |
Pages of publication | 688 |
a | 11.2472 ± 0.0007 Å |
b | 29.1857 ± 0.0017 Å |
c | 14.4448 ± 0.0009 Å |
α | 90° |
β | 95.764 ± 0.003° |
γ | 90° |
Cell volume | 4717.6 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1224 |
Residual factor for significantly intense reflections | 0.0868 |
Weighted residual factors for significantly intense reflections | 0.2548 |
Weighted residual factors for all reflections included in the refinement | 0.2925 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4502770.html
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