Information card for entry 4509654

Structure parameters

• Formula: C29 H33 N7 O10 S2
• Calculated formula: C29 H33 N7 O10 S2
• Title of publication: Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks
• Authors of publication: Soegiarto, Airon C.; Ward, Michael D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 3803
• a: 7.6405 ± 0.0005 Å
• b: 14.0326 ± 0.0009 Å
• c: 16.193 ± 0.001 Å
• α: 65.485 ± 0.003°
• β: 76.713 ± 0.003°
• γ: 86.331 ± 0.003°
• Cell volume: 1536.39 ± 0.18 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: 0.0376
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No