Information card for entry 1572698

Structure parameters

• Formula: C16 H17 N O
• Calculated formula: C16 H17 N O
• Title of publication: Flexible Organic Crystals with Multi-Stimuli-Responsive CPL for Broadband Multicolor Optical Waveguides
• Authors of publication: Pan, Xiuhong; Lan, Linfeng; Zhang, Hongyu
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 20.0857 ± 0.0012 Å
• b: 5.8189 ± 0.0004 Å
• c: 14.3076 ± 0.0009 Å
• α: 90°
• β: 128.517 ± 0.002°
• γ: 90°
• Cell volume: 1308.39 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No