Information card for entry 7053814

Structure parameters

• Chemical name: 9-(4-methoxyphenyl)-9H-xanthen-9-ol acridine clathrate
• Formula: C33 H25 N O3
• Calculated formula: C33 H25 N O3
• SMILES: O1c2c(cccc2)C(O)(c2ccccc12)c1ccc(OC)cc1.n1c2ccccc2cc2ccccc12
• 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: 10.607 ± 0.002 Å
• b: 11.247 ± 0.002 Å
• c: 11.967 ± 0.002 Å
• α: 96.17 ± 0.03°
• β: 110.43 ± 0.03°
• γ: 111.08 ± 0.03°
• Cell volume: 1203.2 ± 0.6 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: 0.066
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No