Information card for entry 2243465

Structure parameters

• Chemical name: 4,4-Bis(4-methoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
• Formula: C32 H31 N O6
• Calculated formula: C32 H31 N O6
• SMILES: C1(=O)C(C(c2ccc(cc2)OC)(c2ccc(cc2)OC)N1c1cc(c(c(c1)OC)OC)OC)c1ccccc1
• Title of publication: Azetidin-2-ones: structures of antimitotic compounds based on the 1-(3,4,5-trimethoxyphenyl)azetidin-2-one core
• Authors of publication: Twamley, Brendan; O'Boyle, Niamh M.; Meegan, Mary J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 8
• Pages of publication: 1187 - 1194
• a: 11.572 ± 0.0003 Å
• b: 12.3994 ± 0.0003 Å
• c: 19.9358 ± 0.0006 Å
• α: 83.779 ± 0.001°
• β: 85.748 ± 0.001°
• γ: 71.559 ± 0.001°
• Cell volume: 2695.23 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0521
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes