Information card for entry 7226979

Structure parameters

• Formula: C35 H25 F6 N3 O5 S
• Calculated formula: C35 H23 F6 N3 O5 S
• Title of publication: A multi-addressable diarylethene for selective detection of Al3+ and construction of logic circuit
• Authors of publication: Cui, Shiqiang; Tang, Yongjuan; Lu, Ruimin; Pu, Shouzhi
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.2652 ± 0.0003 Å
• b: 8.7072 ± 0.0005 Å
• c: 27.5665 ± 0.0016 Å
• α: 90.574 ± 0.005°
• β: 90.342 ± 0.004°
• γ: 112.714 ± 0.005°
• Cell volume: 1608.43 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No