Information card for entry 7232599

Structure parameters

• Common name: N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine:anisole:water
• Formula: C47 H40 N2 O3.22
• Calculated formula: C47 H40 N2 O3.22
• 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: 8.9207 ± 0.0004 Å
• b: 9.1082 ± 0.0004 Å
• c: 12.6652 ± 0.0006 Å
• α: 91.979 ± 0.002°
• β: 107.947 ± 0.002°
• γ: 111.131 ± 0.002°
• Cell volume: 900.79 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No