Information card for entry 7102821

Structure parameters

• Formula: C55 H22 F22 S2
• Calculated formula: C55 H22 F22 S2
• Title of publication: Absolute asymmetric photocyclization in chiral diarylethene co-crystals with octafluoronaphthalene
• Authors of publication: Morimoto, Masakazu; Kobatake, Seiya; Irie, Masahiro
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 3
• Pages of publication: 335 - 337
• a: 37.128 ± 0.005 Å
• b: 8.4977 ± 0.0011 Å
• c: 7.3472 ± 0.0009 Å
• α: 90°
• β: 96.026 ± 0.002°
• γ: 90°
• Cell volume: 2305.2 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No