Information card for entry 1505403

Structure parameters

• Formula: C24 H18.67 F6 N2 O1.33 S
• Calculated formula: C24 H18 F6 N2 O1.33333 S
• Title of publication: Efficient synthesis and properties of isomeric photochromic diarylethenes having a pyrrole unit.
• Authors of publication: Pu, Shouzhi; Liu, Gang; Shen, Liang; Xu, Jingkun
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 2139 - 2142
• a: 14.8561 ± 0.0018 Å
• b: 22.866 ± 0.003 Å
• c: 21.756 ± 0.003 Å
• α: 90°
• β: 102.704 ± 0.002°
• γ: 90°
• Cell volume: 7209.6 ± 1.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2253
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.2141
• Weighted residual factors for all reflections included in the refinement: 0.3204
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No