Information card for entry 1572378

Structure parameters

• Formula: C23 H27 N O2
• Calculated formula: C23 H27 N O2
• Title of publication: Correlated shapeshifting and configurational isomerization
• Authors of publication: Hussein, Burhan A.; Maturi, William; Rylands, Mary Kate; Bismillah, Aisha Naziran; Wen, Yuzhen; Aguilar, Juan A.; Ayub, Rabia; Rankine, Conor; McGonigal, Paul R.
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 6.0431 ± 0.0002 Å
• b: 26.5905 ± 0.0008 Å
• c: 11.6793 ± 0.0003 Å
• α: 90°
• β: 101.772 ± 0.001°
• γ: 90°
• Cell volume: 1837.26 ± 0.09 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0343
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No