Information card for entry 7201718

Structure parameters

• Formula: C35 H22 Br2 N2 S3
• Calculated formula: C35 H22 Br2 N2 S3
• Title of publication: The Janus-like behaviour of sulfur in substituted diquinoline inclusion crystal structures
• Authors of publication: Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Kooli, Fethi; Scudder, Marcia L.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 297
• a: 9.964 ± 0.005 Å
• b: 10.551 ± 0.005 Å
• c: 15.788 ± 0.008 Å
• α: 104.96 ± 0.03°
• β: 99.56 ± 0.03°
• γ: 97.3 ± 0.03°
• Cell volume: 1555.9 ± 1.4 ų
• Cell temperature: 294 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No