Information card for entry 8000144

Structure parameters

• Formula: C23 H28 N O2
• Calculated formula: C23 H28 N O2
• SMILES: O=n1cccc2ccccc12.Oc1ccc(C(CC(C)(C)C)(C)C)cc1
• Title of publication: Complexation of Some Phenol Hosts with Quinoline N-Oxide and the Structural Studies of Their Complexes by X-ray Crystallography
• Authors of publication: Hatano, Bunpei; Aikawa, Akiko; Katagiri, Hiroshi; Tagaya, Hideyuki; Takahashi, Hiroki
• Journal of publication: Chemistry Letters
• Year of publication: 2007
• Journal volume: 36
• Journal issue: 10
• Pages of publication: 1272
• a: 8.3731 ± 0.0007 Å
• b: 9.641 ± 0.001 Å
• c: 13.283 ± 0.002 Å
• α: 71.783 ± 0.006°
• β: 79.461 ± 0.008°
• γ: 83.485 ± 0.007°
• Cell volume: 999.5 ± 0.2 ų
• Cell temperature: 296.1 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 significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.344
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No