Information card for entry 7207701

Structure parameters

• Formula: C216 H117 N8 O51 S4
• Calculated formula: C216 H117 N8 O51 S4
• Title of publication: Molecular engineering of nanoscale order in organic electro-optic glasses
• Authors of publication: Hammond, Scott R.; Sinness, Jessica; Dubbury, Sara; Firestone, Kimberly A.; Benedict, Jason B.; Wawrzak, Zdzislaw; Clot, Olivier; Reid, Philip J.; Dalton, Larry R.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 14
• Pages of publication: 6752
• a: 23.61 ± 0.01 Å
• b: 28.05 ± 0.01 Å
• c: 32 ± 0.01 Å
• α: 67.835 ± 0.003°
• β: 70.115 ± 0.003°
• γ: 68.953 ± 0.003°
• Cell volume: 17796 ± 11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2022
• Residual factor for significantly intense reflections: 0.1849
• Weighted residual factors for significantly intense reflections: 0.4721
• Weighted residual factors for all reflections included in the refinement: 0.4991
• Goodness-of-fit parameter for all reflections included in the refinement: 2.169
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No