Information card for entry 8000146

Structure parameters

• Formula: C24 H23 N O3
• Calculated formula: C24 H23 N O3
• SMILES: O=n1cccc2c1cccc2.Oc1ccc(cc1)C(C)(C)c1ccc(cc1)O
• 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: 9.1679 ± 0.0005 Å
• b: 9.9262 ± 0.0007 Å
• c: 12.427 ± 0.0008 Å
• α: 93.706 ± 0.002°
• β: 90.7958 ± 0.0017°
• γ: 119.212 ± 0.0016°
• Cell volume: 983.66 ± 0.11 ų
• Cell temperature: 108 K
• Ambient diffraction temperature: 108 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: 0.0782
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No