Information card for entry 4512692

Structure parameters

• Formula: C41 H39 Br2 N3 O5 S2
• Calculated formula: C41 H39 Br2 N3 O5 S2
• Title of publication: Solid-State Examination of Conformationally Diverse Sulfonamide Receptors Based on Bis(2-anilinoethynyl)pyridine, -Bipyridine, and -Thiophene.
• Authors of publication: Berryman, Orion B.; Johnson, 2nd, Charles A; Vonnegut, Chris L.; Fajardo, Kevin A.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.
• Journal of publication: Crystal growth & design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 1502 - 1511
• a: 10.0725 ± 0.0007 Å
• b: 12.7166 ± 0.0008 Å
• c: 17.3538 ± 0.0011 Å
• α: 111.334 ± 0.001°
• β: 96.367 ± 0.001°
• γ: 101.77 ± 0.001°
• Cell volume: 1984.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No