Information card for entry 1571335

Structure parameters

• Formula: C17 H16 N2
• Calculated formula: C17 H16 N2
• Title of publication: Axially-chiral boramidine for detailed (chir)optical studies.
• Authors of publication: Saleh, Nidal; Sucre-Rosales, Estefanía; Zinna, Francesco; Besnard, Céline; Vauthey, Eric; Lacour, Jérôme
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 17
• Pages of publication: 6530 - 6535
• a: 25.8699 ± 0.0002 Å
• b: 14.53966 ± 0.00015 Å
• c: 7.44906 ± 0.00008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2801.89 ± 0.05 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.11 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No