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Information card for entry 7131672
Preview
Coordinates | 7131672.cif |
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Original paper (by DOI) | HTML |
Chemical name | CP-Py-2-DCB |
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Formula | C56 H34 Cl4 O8 |
Calculated formula | C56 H34 Cl4 O8 |
Title of publication | Statically and dynamically flexible hydrogen-bonded frameworks based on 4,5,9,10-tetrakis(4-carboxyphenyl)pyrene. |
Authors of publication | Hashimoto, Taito; Oketani, Ryusei; Inoue, Asato; Okubo, Kohei; Oka, Kouki; Tohnai, Norimitsu; Kamiya, Kazuhide; Nakanishi, Shuji; Hisaki, Ichiro |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2023 |
Journal volume | 59 |
Journal issue | 47 |
Pages of publication | 7224 - 7227 |
a | 7.5511 ± 0.0004 Å |
b | 11.4435 ± 0.0008 Å |
c | 26.3091 ± 0.0016 Å |
α | 90° |
β | 92.902 ± 0.005° |
γ | 90° |
Cell volume | 2270.5 ± 0.2 Å3 |
Cell temperature | 113 K |
Ambient diffraction temperature | 113 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 | 0.132 |
Residual factor for significantly intense reflections | 0.072 |
Weighted residual factors for significantly intense reflections | 0.1678 |
Weighted residual factors for all reflections included in the refinement | 0.1916 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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