Information card for entry 7242158

Structure parameters

• Chemical name: trans-4-stilbazole, 1,3-bis(4'-pyridyl)-2,4-bis(phenyl)cyclobutane hexafluorophosphate
• Formula: C26 H23 F6 N2 P
• Calculated formula: C26 H23 F6 N2 P
• Title of publication: Photoreactive salt cocrystal: N±-H⋯N hydrogen bond and cation‒π interactions support a cascade-like photodimerization of a 4-stilbazole
• Authors of publication: Li, Changan; Campillo-Alvarado, Gonzalo; Swenson, Dale C.; MacGillivray, Leonard R.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 5
• Pages of publication: 1071 - 1074
• a: 9.93 ± 0.007 Å
• b: 11.296 ± 0.008 Å
• c: 11.859 ± 0.009 Å
• α: 87.742 ± 0.01°
• β: 83.324 ± 0.009°
• γ: 65.023 ± 0.009°
• Cell volume: 1197.6 ± 1.5 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2288
• Residual factor for significantly intense reflections: 0.1069
• Weighted residual factors for significantly intense reflections: 0.2422
• Weighted residual factors for all reflections included in the refinement: 0.2896
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No