Information card for entry 7131677

Structure parameters

• Chemical name: CP-Py-2-DMAni
• Formula: C68 H59 N3 O8
• Calculated formula: C68 H59 N3 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: 7.4693 ± 0.0004 Å
• b: 14.233 ± 0.002 Å
• c: 24.172 ± 0.0016 Å
• α: 90°
• β: 94.08 ± 0.006°
• γ: 90°
• Cell volume: 2563.2 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.2104
• Residual factor for significantly intense reflections: 0.121
• Weighted residual factors for significantly intense reflections: 0.3631
• Weighted residual factors for all reflections included in the refinement: 0.412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.255
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.811 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No