Information card for entry 4501092

Structure parameters

• Formula: C23 H15 Br2 Cl3 N2 S
• Calculated formula: C23 H15 Br2 Cl3 N2 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: 9.82 ± 0.007 Å
• b: 15.382 ± 0.004 Å
• c: 17.779 ± 0.008 Å
• α: 90°
• β: 121.11 ± 0.02°
• γ: 90°
• Cell volume: 2299 ± 2 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: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No