Information card for entry 4512863

Structure parameters

• Formula: C39 H22 Cl8 O10
• Calculated formula: C39 H22 Cl8 O10
• Title of publication: Exploiting Powder X-ray Diffraction to Establish the Solvent-Assisted Solid-State Supramolecular Assembly of Pillar[5]quinone
• Authors of publication: Shivakumar, Kilingaru I.; Yan, Yuncheng; Hughes, Colan E.; Apperley, David C.; Harris, Kenneth D. M.; Sanjayan, Gangadhar J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 1583
• a: 18.7686 ± 0.0006 Å
• b: 15.2482 ± 0.0005 Å
• c: 6.90544 ± 0.00025 Å
• α: 90°
• β: 89.7367 ± 0.0022°
• γ: 90°
• Cell volume: 1976.23 ± 0.12 ų
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• RFsqd: 0.19725
• Goodness-of-fit parameter for all reflections: 1.64
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No