Information card for entry 7242159

Structure parameters

• Chemical name: trans-4-stilbazole 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: 10.6906 ± 0.0011 Å
• b: 11.0302 ± 0.0011 Å
• c: 11.085 ± 0.0011 Å
• α: 84.721 ± 0.005°
• β: 76.416 ± 0.005°
• γ: 70.095 ± 0.002°
• Cell volume: 1194.6 ± 0.2 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125.15 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: 0.0704
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No