Information card for entry 7155854

Structure parameters

• Formula: C27 H21 N3 O2
• Calculated formula: C27 H21 N3 O2
• Title of publication: Microwave-assisted synthesis of novel hetero[5]helicene-like molecules and coumarin derivatives
• Authors of publication: Lin, Wei; Hu, Xiuxiu; Song, Shuai; Cai, Qi; Wang, Yun; Shi, DaQing
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 10.007 ± 0.0009 Å
• b: 11.0039 ± 0.0011 Å
• c: 18.1201 ± 0.0016 Å
• α: 90°
• β: 105.024 ± 0.002°
• γ: 90°
• Cell volume: 1927.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1874
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.2666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No