Information card for entry 7252074

Structure parameters

• Chemical name: N,N'-Bis(9-(4-methoxyphenyl)-9H-xanthen-9-yl)ethane-1,2-diamine
• Formula: C50 H46 N2 O4
• Calculated formula: C50 H46 N2 O4
• Title of publication: The host potential of N,N′-bis(9-(4-methoxyphenyl)-9H-xanthen-9-yl)ethane-1,2-diamine for xylene and ethylbenzene isomers, and its selectivity behaviour in mixed guest solutions
• Authors of publication: Barton, Benita; Adam, Muhammad-Ameen; Hosten, Eric C.
• Journal of publication: CrystEngComm
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 20
• Pages of publication: 3188 - 3199
• a: 17.8696 ± 0.0012 Å
• b: 10.5775 ± 0.0007 Å
• c: 22.5364 ± 0.0014 Å
• α: 90°
• β: 111.015 ± 0.002°
• γ: 90°
• Cell volume: 3976.4 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No