Information card for entry 4029815

Structure parameters

• Formula: C20 H26 F2 N2 O2
• Calculated formula: C20 H26 F2 N2 O2
• SMILES: F[C@@]12CN(Cc3ccccc3)C[C@]32[C@@](F)(C1)CN(C3)C(=O)OC(C)(C)C.F[C@]12CN(Cc3ccccc3)C[C@@]32[C@](F)(C1)CN(C3)C(=O)OC(C)(C)C
• Title of publication: An intramolecular [2 + 2] photocycloaddition approach to conformationally restricted bis-pyrrolidines.
• Authors of publication: Fort, Diego A.; Woltering, Thomas J.; Alker, André M; Bach, Thorsten
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 15
• Pages of publication: 7152 - 7161
• a: 5.981 ± 0.0012 Å
• b: 11.955 ± 0.002 Å
• c: 13.864 ± 0.003 Å
• α: 111.01 ± 0.03°
• β: 95.75 ± 0.03°
• γ: 92.04 ± 0.03°
• Cell volume: 918 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No