Information card for entry 7111349

Structure parameters

• Formula: C54 H60 N2
• Calculated formula: C53.999 H60 N1.997
• 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: 14.7777 ± 0.0007 Å
• b: 19.5961 ± 0.0009 Å
• c: 16.7434 ± 0.0008 Å
• α: 90°
• β: 115.634 ± 0.001°
• γ: 90°
• Cell volume: 4371.4 ± 0.4 ų
• Cell temperature: 200 ± 0.2 K
• Ambient diffraction temperature: 200 ± 0.2 K
• Number of distinct elements: 3
• 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: 0.084
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No