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Information card for entry 7207188
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Coordinates | 7207188.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H60 N4 O4 |
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Calculated formula | C44 H60 N4 O4 |
Title of publication | Crystallographic analysis of CO2 sorption state in seemingly nonporous molecular crystal of azacalix[4]arene tetramethyl ether exhibiting highly selective CO2 uptake |
Authors of publication | Tsue, Hirohito; Takahashi, Hiroki; Ishibashi, Koichi; Inoue, Rikako; Shimizu, Shun; Takahashi, Daisuke; Tamura, Rui |
Journal of publication | CrystEngComm |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 3 |
Pages of publication | 1021 |
a | 12.774 ± 0.004 Å |
b | 16.152 ± 0.005 Å |
c | 21.355 ± 0.007 Å |
α | 90° |
β | 101.427 ± 0.004° |
γ | 90° |
Cell volume | 4319 ± 2 Å3 |
Cell temperature | 133 K |
Ambient diffraction temperature | 133 ± 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 | 0.1428 |
Residual factor for significantly intense reflections | 0.0916 |
Weighted residual factors for significantly intense reflections | 0.1768 |
Weighted residual factors for all reflections included in the refinement | 0.2041 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
Diffraction radiation wavelength | 0.71075 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/7207188.html
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