Information card for entry 7216106

Structure parameters

• Common name: 9-(4-methoxyphenyl)-9H-xanthen-9-ol aniline clathrate
• Chemical name: 9-(4-methoxyphenyl)-9H-xanthen-9-ol aniline clathrate
• Formula: C23 H19.5 N0.5 O3
• Calculated formula: C23 H18 N0.5 O3
• Title of publication: Inclusion compounds of isomeric xanthenol hosts with aniline
• Authors of publication: Jacobs, Ayesha; Nassimbeni, Luigi R.; Taljaard, Jana H.
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 120
• Pages of publication: 731
• a: 8.4657 ± 0.0017 Å
• b: 9.1803 ± 0.0018 Å
• c: 12.904 ± 0.003 Å
• α: 95.69 ± 0.03°
• β: 99.32 ± 0.03°
• γ: 112.12 ± 0.03°
• Cell volume: 902.6 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.1033
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No