Information card for entry 7127387

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: 3.7618 ± 0.0005 Å
• b: 24.323 ± 0.003 Å
• c: 41.416 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3789.5 ± 0.9 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 48
• Hermann-Mauguin space group symbol: P n n n :2
• Hall space group symbol: -P 2ab 2bc
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.239
• Weighted residual factors for all reflections included in the refinement: 0.2556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.4286 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No