Information card for entry 2243463

Structure parameters

• Chemical name: 4-(4-Methoxyphenyl)-3-(naphthalen-1-yl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
• Formula: C29 H27 N O5
• Calculated formula: C29 H27 N O5
• SMILES: O(c1cc(N2C(=O)[C@H]([C@@H]2c2ccc(OC)cc2)c2cccc3ccccc23)cc(OC)c1OC)C.O(c1cc(N2C(=O)[C@@H]([C@H]2c2ccc(OC)cc2)c2cccc3ccccc23)cc(OC)c1OC)C
• 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: 10.4633 ± 0.0006 Å
• b: 11.318 ± 0.0006 Å
• c: 11.6008 ± 0.0006 Å
• α: 104.628 ± 0.003°
• β: 99.056 ± 0.004°
• γ: 112.929 ± 0.003°
• Cell volume: 1172.73 ± 0.12 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: 0.0724
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes