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Information card for entry 7213551
Preview
Coordinates | 7213551.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27.5 H28.5 Cl0.5 O3 |
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Calculated formula | C27.5 H28.5 Cl0.5 O3 |
Title of publication | Molecular recognition of a large bisphenol A derivative, α,α′-bis(4-hydroxyphenyl)-1,4-diisopropylbenzene, using p-benzoquinone derivatives |
Authors of publication | Iwase, Noriaki; Shigeno, Yuta; Wakabayashi, Takashi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 2 |
Pages of publication | 159 |
a | 6.5284 ± 0.0005 Å |
b | 29.274 ± 0.002 Å |
c | 11.3182 ± 0.0008 Å |
α | 90° |
β | 91.019 ± 0.001° |
γ | 90° |
Cell volume | 2162.7 ± 0.3 Å3 |
Cell temperature | 115 ± 2 K |
Ambient diffraction temperature | 115 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0857 |
Residual factor for significantly intense reflections | 0.0639 |
Weighted residual factors for significantly intense reflections | 0.1277 |
Weighted residual factors for all reflections included in the refinement | 0.1368 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
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/7213551.html
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