Information card for entry 7156680

Structure parameters

• Formula: C30 H32 N2 O5
• Calculated formula: C30 H32 N2 O5
• Title of publication: Access to 3-spiroindolizines containing an isoindole ring through intra-molecular arylation of spiro-N-acyliminium species: a new family of potent farnesyltransferase inhibitors.
• Authors of publication: Pesquet, Anthony; Marzag, Hamid; Knorr, Michael; Strohmann, Carsten; Lawson, Ata Martin; Ghinet, Alina; Dubois, Joëlle; Amaury, Farce; Daïch, Adam; Othman, Mohamed
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 2798 - 2808
• a: 10.4959 ± 0.0012 Å
• b: 20.229 ± 0.002 Å
• c: 11.8444 ± 0.0014 Å
• α: 90°
• β: 96.215 ± 0.002°
• γ: 90°
• Cell volume: 2500 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0579
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No