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Information card for entry 7059454
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Coordinates | 7059454.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2,4-Diphenylquinazoline calixarene derivative |
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Formula | C54.5 H58 N2 O4.5 |
Calculated formula | C54.5 H58 N2 O4.5 |
Title of publication | Regioselective formation of the quinazoline moiety on the upper rim of calix[4]arene as a route to inherently chiral systems |
Authors of publication | Tlustý, M.; Dvořáková, H.; Čejka, J.; Kohout, M.; Lhoták, P. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2020 |
Journal volume | 44 |
Journal issue | 16 |
Pages of publication | 6490 - 6500 |
a | 9.5527 ± 0.0002 Å |
b | 17.1196 ± 0.0004 Å |
c | 28.2418 ± 0.0006 Å |
α | 90° |
β | 91.7686 ± 0.0008° |
γ | 90° |
Cell volume | 4616.42 ± 0.17 Å3 |
Cell temperature | 180 K |
Ambient diffraction temperature | 180 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 | 0.0652 |
Residual factor for significantly intense reflections | 0.059 |
Weighted residual factors for all reflections | 0.1564 |
Weighted residual factors for significantly intense reflections | 0.1545 |
Weighted residual factors for all reflections included in the refinement | 0.1564 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0082 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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