Information card for entry 2014286

Structure parameters

• Chemical name: 9-(1-naphthyl)-9H-xanthen-9-ol‒dioxane (1/1) clathrate
• Formula: C27 H24 O4
• Calculated formula: C27 H24 O4
• SMILES: O1c2ccccc2C(O)(c2ccccc12)c1c2ccccc2ccc1.O1CCOCC1
• Title of publication: Desorption kinetics of a xanthenol‒dioxane clathrate
• Authors of publication: Jacobs, Ayesha A.; Nassimbeni, Luigi R.; Taljaard, Benjamin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o668 - o670
• a: 13.597 ± 0.003 Å
• b: 10.404 ± 0.002 Å
• c: 14.735 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2084.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes