Information card for entry 7053817

Structure parameters

• Chemical name: 9-(4-methoxyphenyl)-9H-xanthen-9-ol triethylenediamine clathrate
• Formula: C23 H22 N O3
• Calculated formula: C23 H22 N O3
• Title of publication: Enclathration by a xanthenol host via solid‒solid reactions: structures and kinetics
• Authors of publication: Jacobs, Ayesha; Nassimbeni, Luigi R.; Nohako, Kanyisa L.; Ramon, Gaelle; Taljaard, Jana H.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 9
• Pages of publication: 1960
• a: 9.0572 ± 0.0018 Å
• b: 9.6751 ± 0.0019 Å
• c: 10.501 ± 0.002 Å
• α: 88.56 ± 0.03°
• β: 83.74 ± 0.03°
• γ: 85.45 ± 0.03°
• Cell volume: 911.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0538
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No