Information card for entry 4513220

Structure parameters

• Formula: C30 H32 N6 O6 S2
• Calculated formula: C30 H32 N6 O6 S2
• Title of publication: Strong Intermolecular Electronic Coupling of Chromophores Confined in Hydrogen-Bonded Frameworks
• Authors of publication: Adachi, Takuji; Connors, David M.; Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 3366
• a: 21.1455 ± 0.0019 Å
• b: 12.7188 ± 0.0012 Å
• c: 17.8085 ± 0.0016 Å
• α: 90°
• β: 105.078 ± 0.0016°
• γ: 90°
• Cell volume: 4624.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1124
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No