Information card for entry 7152961

Structure parameters

• Formula: C20 H26.5 F3 N3 O5.25
• Calculated formula: C20 H26.5 F3 N3 O5.25
• Title of publication: Stereoselective synthesis of original spirolactams displaying promising folded structures.
• Authors of publication: Chaubet, Guilhem; Coursindel, Thibault; Morelli, Xavier; Betzi, Stéphane; Roche, Philippe; Guari, Yannick; Lebrun, Aurélien; Toupet, Loïc; Collette, Yves; Parrot, Isabelle; Martinez, Jean
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 28
• Pages of publication: 4719 - 4726
• a: 6.4489 ± 0.0002 Å
• b: 9.7481 ± 0.0003 Å
• c: 36.086 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2268.53 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 2 21 21
• Hall space group symbol: P 2bc 2
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No