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Information card for entry 4515304
Preview
Coordinates | 4515304.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H60 O11 |
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Calculated formula | C54 H60 O11 |
SMILES | O(c1cc2c(OCC)cc1Cc1cc(OCC)c(CC3=CC(=O)C(=CC3=O)Cc3c(OCC)cc(c(OCC)c3)Cc3c(OCC)cc(c(OCC)c3)C2)cc1OCC)CC.O=CCC |
Title of publication | Aliphatic Aldehyde Detection and Adsorption by Nonporous Adaptive Pillar[4]arene[1]quinone Crystals with Vapochromic Behavior. |
Authors of publication | Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Zhang, Bo; Wang, Qi; Liu, Jiyong; Huang, Feihe |
Journal of publication | ACS applied materials & interfaces |
Year of publication | 2018 |
Journal volume | 10 |
Journal issue | 27 |
Pages of publication | 23147 - 23153 |
a | 13.6097 ± 0.0012 Å |
b | 18.0867 ± 0.0011 Å |
c | 21.2266 ± 0.0014 Å |
α | 90° |
β | 95.041 ± 0.007° |
γ | 90° |
Cell volume | 5204.8 ± 0.7 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 3 |
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 | 0.1577 |
Residual factor for significantly intense reflections | 0.0802 |
Weighted residual factors for significantly intense reflections | 0.2251 |
Weighted residual factors for all reflections included in the refinement | 0.2901 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4515304.html
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