Information card for entry 7250338

Structure parameters

• Chemical name: N,N'-bis(9-phenyl-9-thioxanthenyl)-butane-1,4-diamine
• Formula: C49 H48 N2 O S2
• Calculated formula: C49 H48 N2 O S2
• Title of publication: The behaviour of two diamino-derived host compounds in cyclohexanone and isomeric methylcyclohexanones
• Authors of publication: Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric C.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 20
• Pages of publication: 3279 - 3294
• a: 9.2379 ± 0.0005 Å
• b: 9.5888 ± 0.0005 Å
• c: 12.5881 ± 0.0007 Å
• α: 93.28 ± 0.002°
• β: 101.236 ± 0.002°
• γ: 115.915 ± 0.0019°
• Cell volume: 970.82 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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 all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No