Information card for entry 4501095

Structure parameters

• Formula: C26 H18 Br2 N2 O S
• Calculated formula: C26 H18 Br2 N2 O S
• Title of publication: Enhanced Guest Inclusion by a Sulfur-Containing Diquinoline Host
• Authors of publication: Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 4474
• a: 9.835 ± 0.004 Å
• b: 10.43 ± 0.005 Å
• c: 11.986 ± 0.005 Å
• α: 101.67 ± 0.02°
• β: 91.2 ± 0.03°
• γ: 107.55 ± 0.02°
• Cell volume: 1143.6 ± 0.9 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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 significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.79
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No