Information card for entry 7100594

Structure parameters

• Common name: Mixed crystal of dioxazolylethene and dithiazolylethene
• Formula: C50 H32 F12 N4 O2 S2
• Calculated formula: C50 H32 F12 N4 O0.616 S3.384
• Title of publication: Photochromism of Single Crystals Composed of Dioxazolylethene and Dithiazolylethene
• Authors of publication: Lumi Kuroki; Shizuka Takami; Katsunori Shibata; Masahiro Irie
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 7.202 ± 0.002 Å
• b: 25.771 ± 0.007 Å
• c: 12.589 ± 0.004 Å
• α: 90°
• β: 102.302 ± 0.004°
• γ: 90°
• Cell volume: 2282.7 ± 1.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No