Information card for entry 2003210

Structure parameters

• Formula: C24 H27 N3 O3
• Calculated formula: C24 H27 N3 O3
• SMILES: N1(CN(CN(C1)c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC
• Title of publication: Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane
• Authors of publication: Adam, David; McCabe, Peter H.; Sim, George A.; Bouchemma, Ahcene
• Journal of publication: Acta Crystallographica, Section C: Crystal Structure Communications
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 2
• Pages of publication: 246 - 249
• a: 15.518 ± 0.002 Å
• b: 16.427 ± 0.002 Å
• c: 8.46 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2157 ± 2 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.036
• Goodness-of-fit parameter for significantly intense reflections: 1.88
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No