Information card for entry 7232600

Structure parameters

• Common name: N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine:4-methylanisole
• Formula: C48 H42 N2 O S2
• Calculated formula: C48 H42 N2 O S2
• Title of publication: Minor modifications afford improved host selectivities in xanthenyl-type host systems
• Authors of publication: Barton, Benita; de Jager, Lize; Hosten, Eric C.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 19
• Pages of publication: 3000
• a: 10.5144 ± 0.0006 Å
• b: 13.7009 ± 0.0007 Å
• c: 13.7121 ± 0.0007 Å
• α: 84.337 ± 0.002°
• β: 70.982 ± 0.002°
• γ: 87.993 ± 0.002°
• Cell volume: 1858.38 ± 0.17 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: 0.0541
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No