Information card for entry 4506166

Structure parameters

• Formula: C38 H54 Cu N4 O6
• Calculated formula: C38 H54 Cu N4 O6
• Title of publication: Crystallization-Induced Dynamic Resolution of Stereolabile Biaryl Derivatives Involving Supramolecular Interactions
• Authors of publication: Degenbeck, H.; Felten, A.-S.; Etxebarria, J.; Escudero-Adán, E. C.; Benet-Buchholz, J.; Vidal-Ferran, A.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 2719
• a: 8.8882 ± 0.0004 Å
• b: 8.9048 ± 0.0004 Å
• c: 12.3155 ± 0.0006 Å
• α: 73.268 ± 0.001°
• β: 85.146 ± 0.001°
• γ: 81.301 ± 0.001°
• Cell volume: 921.87 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No