Information card for entry 7246760

Structure parameters

• Chemical name: Decaphenylbiphenyl
• Formula: C72 H50
• Calculated formula: C72 H50
• Title of publication: How great is the stabilization of crowded polyphenylbiphenyls by London dispersion?
• Authors of publication: R A C Lima, Carlos F; Mague, Joel T.; Du, Yuchen; Pascal, Jr, Robert A; Santos, Luís M N B F
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 19
• Pages of publication: 13359 - 13375
• a: 14.9441 ± 0.0005 Å
• b: 15.009 ± 0.0005 Å
• c: 24.0523 ± 0.0008 Å
• α: 93.926 ± 0.001°
• β: 104.887 ± 0.001°
• γ: 91.282 ± 0.001°
• Cell volume: 5197 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No