Information card for entry 7127388

Structure parameters

• Common name: CPDBC
• Chemical name: 4,4',4'',4'''-(dibenzo[g,p]chrysene-2,7,10,15-tetrayl)tetrabenzoic acid
• Formula: C54 H32 O8
• Calculated formula: C54 H32 O8
• Title of publication: Hydrogen-bonded organic frameworks of twisted polycyclic aromatic hydrocarbon.
• Authors of publication: Suzuki, Yuto; Tohnai, Norimitsu; Saeki, Akinori; Hisaki, Ichiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 87
• Pages of publication: 13369 - 13372
• a: 47.5006 ± 0.001 Å
• b: 47.5006 ± 0.001 Å
• c: 7.417 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16735 ± 0.7 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.1163
• Residual factor for significantly intense reflections: 0.0917
• Weighted residual factors for significantly intense reflections: 0.2698
• Weighted residual factors for all reflections included in the refinement: 0.292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.81106 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No