Information card for entry 2239756

Structure parameters

• Common name: Amide Cyclophane
• Chemical name: 8,18-Dithia-2,6-diaza-13(1,4)-piperidina-1(1,2),4(1,3),7(1,2)-tribenzenaoctadecaphane-10,15-diyne-3,6-dione
• Formula: C32 H30 N4 O2 S2
• Calculated formula: C32 H30 N4 O2 S2
• Title of publication: An amide cyclophane
• Authors of publication: Viswanathan, Vijayan; Thirunarayanan, Ayyavu; Rajakumar, Perumal; Velmurugan, Devadasan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: o865
• a: 23.076 ± 0.0005 Å
• b: 9.938 ± 0.0003 Å
• c: 27.0341 ± 0.0007 Å
• α: 90°
• β: 108.428 ± 0.002°
• γ: 90°
• Cell volume: 5881.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes