Information card for entry 1568279

Structure parameters

• Formula: C36 H16 N6 O
• Calculated formula: C36 H16 N6 O
• Title of publication: Polarization-induced nanohelixes of organic cocrystals from asymmetric components with dopant-induced chirality inversion.
• Authors of publication: Chen, Jinqiu; Yang, Canglei; Ma, Shuang; Liu, Zhiqi; Xiang, Wenxin; Zhang, Jing
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2091 - 2096
• a: 7.023 ± 0.01 Å
• b: 9.909 ± 0.014 Å
• c: 11.109 ± 0.014 Å
• α: 65.89 ± 0.06°
• β: 74.66 ± 0.05°
• γ: 73.28 ± 0.04°
• Cell volume: 666.2 ± 1.6 ų
• Cell temperature: 296.83 K
• Ambient diffraction temperature: 296.83 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.1921
• Weighted residual factors for all reflections included in the refinement: 0.2096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No