Information card for entry 7251217

Structure parameters

• Chemical name: N,N'-bis(9-(4-chlorophenyl)-9-xanthenyl)ethylene-diamine
• Formula: C50 H40 Cl2 N4 O2
• Calculated formula: C50 H40 Cl2 N4 O2
• Title of publication: Chloro-containing host compounds with fused tricyclic moieties and diamino linkers: host ability and affinity behaviour in pyridine/methylpyridines
• Authors of publication: Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric Cyriel
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 10.2394 ± 0.0004 Å
• b: 25.2702 ± 0.001 Å
• c: 7.8761 ± 0.0003 Å
• α: 90°
• β: 97.0302 ± 0.0014°
• γ: 90°
• Cell volume: 2022.63 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No