Information card for entry 4505917

Structure parameters

• Chemical name: 4,4'-dihydroxybenzophenone, 4,13-diaza-18-crown-6
• Formula: C25 H36 N2 O7
• Calculated formula: C25 H36 N2 O7
• Title of publication: Solid-State Dilution of Dihydroxybenzophenones with 4,13-Diaza-18-crown-6 for Photocrystallographic Studies
• Authors of publication: Cole, Jacqueline M.; Waddell, Paul G.; Jayatilaka, Dylan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 2277
• a: 8.6935 ± 0.0002 Å
• b: 10.306 ± 0.0002 Å
• c: 15.8548 ± 0.0002 Å
• α: 90.4906 ± 0.0011°
• β: 104.433 ± 0.0011°
• γ: 111.062 ± 0.0009°
• Cell volume: 1276.19 ± 0.04 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No