Information card for entry 7225267

Structure parameters

• Formula: C34 H32 N2 O4 S2
• Calculated formula: C34 H32 N2 O4 S2
• Title of publication: Synthesis and structure-property relationships of phthalimide and naphthalimide based organic π-conjugated small molecules.
• Authors of publication: Payne, Abby-Jo; Hendsbee, Arthur D.; McAfee, Seth M.; Paul, Devproshad K.; Karan, Kunal; Welch, Gregory C.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 21
• Pages of publication: 14709 - 14719
• a: 24.442 ± 0.004 Å
• b: 15.052 ± 0.003 Å
• c: 8.5086 ± 0.0015 Å
• α: 90°
• β: 108.057 ± 0.002°
• γ: 90°
• Cell volume: 2976.1 ± 0.9 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No