Information card for entry 4513733

Structure parameters

• Formula: C29 H21 N3 O2
• Calculated formula: C29 H21 N3 O2
• SMILES: n12c([nH]c3c1cccc3)c(N(C(=O)c1ccccc1)Cc1ccccc1)c1c(c2=O)cccc1
• Title of publication: An Efficient and Facile Method for the Synthesis of Benzimidazoisoquinoline Derivatives via a Multicomponent Reaction.
• Authors of publication: Liao, Wen-Li; Li, Shi-Qiang; Wang, Jun; Zhang, Zhi-Yu; Yang, Zhi-Wei; Xu, Di; Xu, Chuan; Lan, Hai-Tao; Chen, Zhong-Zhu; Xu, Zhi-Gang
• Journal of publication: ACS combinatorial science
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 1
• Pages of publication: 65 - 69
• a: 10.1264 ± 0.0007 Å
• b: 11.3087 ± 0.0007 Å
• c: 11.5564 ± 0.0011 Å
• α: 67.874 ± 0.007°
• β: 65.23 ± 0.008°
• γ: 83.135 ± 0.005°
• Cell volume: 1112 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0839
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No