Information card for entry 4509649

Structure parameters

• Formula: C24 H27 N4 O5 S
• Calculated formula: C24 H27 N4 O5 S
• 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: 13.8848 ± 0.0004 Å
• b: 12.2852 ± 0.0004 Å
• c: 26.8605 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4581.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No