Information card for entry 7232597

Structure parameters

• Common name: N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine:anisole
• Formula: C47 H40 N2 O S2
• Calculated formula: C47 H40 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: 10.373 ± 0.0005 Å
• b: 13.4532 ± 0.0006 Å
• c: 13.9106 ± 0.0006 Å
• α: 83.333 ± 0.002°
• β: 84.907 ± 0.002°
• γ: 70.842 ± 0.002°
• Cell volume: 1818.66 ± 0.14 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: 0.0451
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No