Information card for entry 4023843

Structure parameters

• Formula: C41.5 H43.5 N4 O6
• Calculated formula: C40 H40 N4 O6
• Title of publication: Bis-morpholine-Substituted Perylene Bisimides: Impact of Isomeric Arrangement on Electrochemical and Spectroelectrochemical Properties
• Authors of publication: Gudrun Goretzki; E. Stephen Davies; Stephen P. Argent; Wassim Z. Alsindi; Alexander J. Blake; John E. Warren; Jonathan McMaster; Neil R. Champness
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 8808 - 8814
• a: 14.254 ± 0.002 Å
• b: 15.314 ± 0.002 Å
• c: 17.471 ± 0.002 Å
• α: 82.656 ± 0.001°
• β: 84.973 ± 0.001°
• γ: 70.402 ± 0.001°
• Cell volume: 3559 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1438
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1759
• Weighted residual factors for all reflections included in the refinement: 0.2034
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.6911 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No