Information card for entry 7221592

Structure parameters

• Formula: C35 H26 Br2 S2
• Calculated formula: C35 H26 Br2 S2
• Title of publication: Visible-light triggered photoswitching systems based on fluorescent azulenyl-substituted dithienylcyclopentenes
• Authors of publication: Dragu, Eugenia Andreea; Ion, Adrian E.; Sova, Sergiu; Bala, Daniela; Mihailciuc, Constantin; Voicescu, Mariana; Ionescu, Sorana; Nica, Simona
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 24.2712 ± 0.0007 Å
• b: 8.3649 ± 0.0003 Å
• c: 14.4048 ± 0.0006 Å
• α: 90°
• β: 93.305 ± 0.003°
• γ: 90°
• Cell volume: 2919.69 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No