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Information card for entry 7216937
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Coordinates | 7216937.cif |
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Original paper (by DOI) | HTML |
Formula | C78 H80 O12 S4 |
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Calculated formula | C78 H80 O12 S4 |
Title of publication | 4,4′-(Fluorene-9,9-diyl)diphenol: a new versatile building block for clathrate type and macrocyclic host‒guest inclusion |
Authors of publication | Apel, Sylke; Nitsche, Silke; Beketov, Kayrat; Seichter, Wilhelm; Seidel, J.; Weber, Edwin |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
Year of publication | 2001 |
Journal issue | 7 |
Pages of publication | 1212 |
a | 9.475 ± 0.002 Å |
b | 13.591 ± 0.002 Å |
c | 26.899 ± 0.004 Å |
α | 90° |
β | 100 ± 0.01° |
γ | 90° |
Cell volume | 3411.3 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1911 |
Residual factor for significantly intense reflections | 0.126 |
Weighted residual factors for all reflections | 0.3996 |
Weighted residual factors for significantly intense reflections | 0.3329 |
Goodness-of-fit parameter for all reflections | 1.023 |
Goodness-of-fit parameter for significantly intense reflections | 1.18 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7216937.html
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structural data.