Information card for entry 7242157

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: 10.8408 ± 0.0011 Å
• b: 11.1512 ± 0.0011 Å
• c: 11.3568 ± 0.0011 Å
• α: 84.292 ± 0.005°
• β: 75.957 ± 0.005°
• γ: 69.533 ± 0.005°
• Cell volume: 1247.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 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: 0.0889
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No