Information card for entry 7246628

Structure parameters

• Formula: C62 H36 O8
• Calculated formula: C62 H36 O8
• Title of publication: Improved quantum yield in geometrically constrained tetraphenylethylene-based metal–organic frameworks
• Authors of publication: Stawiasz, Katherine J.; Deneff, Jacob I.; Reyes, Raphael A.; Woods, Toby J.; Rohwer, Lauren E. S.; Valdez, Nichole; Rodriguez, Mark A.; Lawal, Abdul; Moore, Jeffrey S.; Sava Gallis, Dorina F.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 18
• Pages of publication: 2701 - 2705
• a: 11.3032 ± 0.0004 Å
• b: 9.775 ± 0.0003 Å
• c: 47.7728 ± 0.0014 Å
• α: 90°
• β: 93.4935 ± 0.0009°
• γ: 90°
• Cell volume: 5268.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0775
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No