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Information card for entry 7213549
Preview
Coordinates | 7213549.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H15 O2 |
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Calculated formula | C15 H15 O2 |
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 | 6.0892 ± 0.0007 Å |
b | 6.5384 ± 0.0007 Å |
c | 16.9014 ± 0.0018 Å |
α | 80.756 ± 0.002° |
β | 84.572 ± 0.002° |
γ | 62.398 ± 0.002° |
Cell volume | 588.42 ± 0.11 Å3 |
Cell temperature | 115 ± 2 K |
Ambient diffraction temperature | 115 ± 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 | 0.0602 |
Residual factor for significantly intense reflections | 0.0485 |
Weighted residual factors for significantly intense reflections | 0.1204 |
Weighted residual factors for all reflections included in the refinement | 0.1279 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/7213549.html
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