Information card for entry 7239117

Structure parameters

• Chemical name: (+/-)<i>N</i>-(chrysen-6-yl)-3-(2,5-dimethyl-1<i>H</i>-pyrrol-1-yl)-4- (thiophene-2-yl)azetidin-2-one acetone solvate
• Formula: C34 H30 N2 O2 S
• Calculated formula: C34 H29 N2 O2 S
• Title of publication: A green, chemoselective, and practical approach toward N-(2-azetidinonyl) 2,5-disubstituted pyrroles
• Authors of publication: Bandyopadhyay, Debasish; Rhodes, Elvira; Banik, Bimal K.
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 37
• Pages of publication: 16756
• a: 15.6995 ± 0.0012 Å
• b: 10.4795 ± 0.0009 Å
• c: 17.7531 ± 0.0016 Å
• α: 90°
• β: 111.535 ± 0.008°
• γ: 90°
• Cell volume: 2716.9 ± 0.4 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No