Information card for entry 8000145

Structure parameters

• Formula: C27 H27 N O3
• Calculated formula: C27 H27 N O3
• SMILES: Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O.O=n1cccc2ccccc12
• 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: 10.027 ± 0.002 Å
• b: 18.751 ± 0.004 Å
• c: 13.911 ± 0.002 Å
• α: 90°
• β: 124.174 ± 0.01°
• γ: 90°
• Cell volume: 2163.9 ± 0.7 ų
• Cell temperature: 108 K
• Ambient diffraction temperature: 108 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1948
• Residual factor for significantly intense reflections: 0.1351
• Weighted residual factors for significantly intense reflections: 0.3129
• Weighted residual factors for all reflections included in the refinement: 0.3485
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No