Information card for entry 7111346

Structure parameters

• Formula: C42 H22 F12
• Calculated formula: C41.998 H22 F12
• Title of publication: Cruciform ?-systems: effect of aggregation on emissionElectronic supplementary information (ESI) available: X-ray data of 1?4 and electron diffraction (experimental and simulated) of 3. See http://www.rsc.org/suppdata/cc/b4/b406495j/
• Authors of publication: Wilson, James N.; Smith, Mark D.; Enkelmann, Volker; Bunz, Uwe H. F.
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 15
• Pages of publication: 1700 - 1701
• a: 17.8688 ± 0.0014 Å
• b: 5.0625 ± 0.0004 Å
• c: 18.6933 ± 0.0015 Å
• α: 90°
• β: 97.617 ± 0.002°
• γ: 90°
• Cell volume: 1676.1 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No