Information card for entry 4501094

Structure parameters

• Formula: C22 H16 Br2 N2 O S
• Calculated formula: C22 H16 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: 9.487 ± 0.004 Å
• b: 12.439 ± 0.003 Å
• c: 18.869 ± 0.008 Å
• α: 90°
• β: 118.19 ± 0.02°
• γ: 90°
• Cell volume: 1962.6 ± 1.3 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.42
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No