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Information card for entry 7063268
Preview
Coordinates | 7063268.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42.15 H50.46 O5.08 |
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Calculated formula | C42.1535 H50.4615 O5.077 |
Title of publication | Calix[4]arene with a stiff upper rim bridge: spontaneous macrocyclization, structure, and dynamic behaviour |
Authors of publication | Azov, Vladimir A.; Warneke, Jonas; Warneke, Ziyan; Zeller, Matthias; Twigge, Linette |
Journal of publication | New Journal of Chemistry |
Year of publication | 2024 |
Journal volume | 48 |
Journal issue | 27 |
Pages of publication | 12246 - 12253 |
a | 13.6255 ± 0.0013 Å |
b | 17.2297 ± 0.0017 Å |
c | 17.4046 ± 0.0017 Å |
α | 109.439 ± 0.0014° |
β | 91.6526 ± 0.0015° |
γ | 105.805 ± 0.0015° |
Cell volume | 3675.1 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0848 |
Residual factor for significantly intense reflections | 0.053 |
Weighted residual factors for significantly intense reflections | 0.1284 |
Weighted residual factors for all reflections included in the refinement | 0.1465 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/7063268.html
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