Information card for entry 1515502

Structure parameters

• Formula: C41 H36 F6 N2 O2
• Calculated formula: C41 H36 F6 N2 O2
• SMILES: CCCN1c2cccc3c2C(c2c1cccc2OC)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(N3c2c(C)cc(cc2C)C)cccc1OC
• Title of publication: Highly selective additions of hydride and organolithium nucleophiles to helical carbenium ions
• Authors of publication: Guin, Joyram; Besnard, Céline; Pattison, Philip; Lacour, Jérôme
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 425
• a: 8.641 ± 0.002 Å
• b: 12.453 ± 0.003 Å
• c: 16.039 ± 0.003 Å
• α: 91.073 ± 0.004°
• β: 92.167 ± 0.01°
• γ: 100.384 ± 0.011°
• Cell volume: 1695.8 ± 0.7 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0486
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No