Information card for entry 7100595

Structure parameters

• Common name: 1,2-bis(5-methyl-2-phenyl-4-oxazolyl)perfluorocyclopentene
• Formula: C25 H16 F6 N2 O2
• Calculated formula: C25 H16 F6 N2 O2
• SMILES: FC1(F)C(=C(c2c(oc(n2)c2ccccc2)C)C(F)(F)C1(F)F)c1nc(oc1C)c1ccccc1
• 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: 11.618 ± 0.003 Å
• b: 17.791 ± 0.005 Å
• c: 10.274 ± 0.003 Å
• α: 90°
• β: 95.773 ± 0.005°
• γ: 90°
• Cell volume: 2112.8 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No