Information card for entry 4128294

Structure parameters

• Formula: C21 H18 N4 O
• Calculated formula: C21 H18 N4 O
• Title of publication: Occurrence of Chiral Nanostructures Induced by Multiple Hydrogen Bonds.
• Authors of publication: Xing, Pengyao; Li, Yongxin; Xue, Shixin; Fiona Phua, Soo Zeng; Ding, Chendi; Chen, Hongzhong; Zhao, Yanli
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 25
• Pages of publication: 9946 - 9954
• a: 7.0423 ± 0.0004 Å
• b: 10.4389 ± 0.0006 Å
• c: 12.1272 ± 0.0007 Å
• α: 76.1046 ± 0.0019°
• β: 88.391 ± 0.002°
• γ: 77.957 ± 0.002°
• Cell volume: 846.15 ± 0.08 ų
• Cell temperature: 109 ± 2 K
• Ambient diffraction temperature: 109 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No