Information card for entry 1513853

Structure parameters

• Formula: C13 H10 Ca F6 N4 O6 S2
• Calculated formula: C13 H10 Ca F6 N4 O6 S2
• Title of publication: A light-induced reversible phase separation and its coupling to a dynamic library of imines
• Authors of publication: Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 1475
• a: 8.8738 ± 0.0009 Å
• b: 10.2258 ± 0.001 Å
• c: 11.11 ± 0.0011 Å
• α: 92.066 ± 0.002°
• β: 98.016 ± 0.002°
• γ: 100.127 ± 0.002°
• Cell volume: 980.84 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No