Information card for entry 4513222

Structure parameters

• Formula: C24 H28 N6 O6 S2
• Calculated formula: C24 H28 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: 21.79 ± 0.001 Å
• b: 7.585 ± 0.0003 Å
• c: 16.3519 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2702.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No