Information card for entry 7232944

Structure parameters

• Common name: N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine: N-methylaniline: water
• Formula: C47 H41 N3 O2.41
• Calculated formula: C47 H41 N3 O2.406
• Title of publication: Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations
• Authors of publication: Barton, Benita; de Jager, Lize; Hosten, Eric C.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 29
• Pages of publication: 4387
• a: 8.9265 ± 0.0004 Å
• b: 9.1183 ± 0.0004 Å
• c: 12.5759 ± 0.0005 Å
• α: 92.594 ± 0.002°
• β: 107.264 ± 0.002°
• γ: 111.066 ± 0.002°
• Cell volume: 898.81 ± 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: 0.0455
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.114
• 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: Yes
• Has Fobs: No