Information card for entry 7150996

Structure parameters

• Chemical name: 1-[3'-azido-4'-phenylazetidine-2'-one-1'-yl]-2- [3"-azido-4"-phenylazetidine-2"-one-1"-yl]ethane
• Formula: C20 H18 N8 O2
• Calculated formula: C20 H18 N8 O2
• SMILES: C1(=O)[C@@H]([C@H](c2ccccc2)N1CCN1C(=O)[C@H]([C@H]1c1ccccc1)N=N#N)N=N#N
• 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: 13.196 ± 0.008 Å
• b: 5.751 ± 0.004 Å
• c: 13.632 ± 0.008 Å
• α: 90°
• β: 109.453 ± 0.009°
• γ: 90°
• Cell volume: 975.5 ± 1.1 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: 0.0399
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No