Information card for entry 7111348

Structure parameters

• Formula: C56 H58 F6 N2
• Calculated formula: C56 H58 F6 N2
• 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: 13.8368 ± 0.0007 Å
• b: 16.9399 ± 0.0008 Å
• c: 20.4197 ± 0.001 Å
• α: 90°
• β: 97.849 ± 0.001°
• γ: 90°
• Cell volume: 4741.4 ± 0.4 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No