Information card for entry 7218078

Structure parameters

• Formula: C23 H21 N3 O
• Calculated formula: C23 H21 N3 O
• SMILES: c1cccc(CN(Cc2ccc3c(cccc3)n2)Cc2c(cccc2)O)n1
• Title of publication: Efficient synthesis of new asymmetric tripodal ligands using microwave irradiation, and their crystal structures
• Authors of publication: Yuan, Zeli; Yang, Xiaoqing; Wang, Lei; Huang, Jiandong; Wei, Gang
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 79
• Pages of publication: 42211
• a: 9.929 ± 0.01 Å
• b: 12.099 ± 0.012 Å
• c: 16.261 ± 0.016 Å
• α: 90°
• β: 96.512 ± 0.011°
• γ: 90°
• Cell volume: 1941 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0785
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No