Information card for entry 7238787

Structure parameters

• Formula: C46 H40 N6 O S3
• Calculated formula: C46 H40 N6 O S3
• Title of publication: Design strategy for arranging an aromatic cyclic trimer into a tripodal molecule
• Authors of publication: Elumalai, Palani; Rajakannu, Palanisamy; Hussain, Firasat; Sathiyendiran, Malaichamy
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 7
• Pages of publication: 2171
• a: 24.007 ± 0.0017 Å
• b: 13.3108 ± 0.0007 Å
• c: 24.2954 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7763.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.158
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No