Information card for entry 7150995

Structure parameters

• Chemical name: 1,2-Bis[3'-azido-4'-phenylazetidine-2'-one-1'-yl]ethane
• Formula: C20 H18 N8 O2
• Calculated formula: C20 H18 N8 O2
• Title of publication: Synthesis and biological evaluation of bile acid dimers linked with 1,2,3-triazole and bis-β-lactam
• Authors of publication: Vatmurge, Namdev S.; Hazra, Braja G.; Pore, Vandana S.; Shirazi, Fazal; Deshpande, Mukund V.; Kadreppa, Sreenath; Chattopadhyay, Samit; Gonnade, Rajesh G.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 20
• Pages of publication: 3823 - 3830
• a: 13.838 ± 0.011 Å
• b: 6.873 ± 0.006 Å
• c: 22.068 ± 0.019 Å
• α: 90°
• β: 96.71 ± 0.015°
• γ: 90°
• Cell volume: 2084 ± 3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 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: 0.0699
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No