Information card for entry 1516487

Structure parameters

• Common name: co-crystal 1a/2a'
• Formula: C56 H30 F22 S4
• Calculated formula: C56 H30 F22 S4
• SMILES: c1(c(cc(c2c(c(c(c(c2F)F)F)F)F)s1)C1=C(C(C(C1(F)F)(F)F)(F)F)c1c(C)sc(c1)c1c(c(c(c(c1F)F)F)F)F)C.c1(cc(c2ccccc2)sc1CC)C1=C(C(F)(F)C(C1(F)F)(F)F)c1cc(c2ccccc2)sc1CC
• Title of publication: Photochromism of diarylethenes in nanolayers of a single crystal
• Authors of publication: Morimoto, Masakazu; Kobatake, Seiya; Irie, Masahiro
• Journal of publication: Photochemical & Photobiological Sciences
• Year of publication: 2003
• Journal volume: 2
• Journal issue: 11
• Pages of publication: 1088 - 1094
• a: 11.737 ± 0.012 Å
• b: 13.717 ± 0.014 Å
• c: 15.352 ± 0.015 Å
• α: 76.844 ± 0.016°
• β: 83.197 ± 0.016°
• γ: 75.445 ± 0.015°
• Cell volume: 2325 ± 4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.195
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.201
• Weighted residual factors for all reflections included in the refinement: 0.264
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No