Information card for entry 7218077

Structure parameters

• Formula: C24 H22 N2 O
• Calculated formula: C24 H22 N2 O
• SMILES: c1ccc2ccccc2c1CN(Cc1ccccn1)Cc1ccccc1O
• 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: 13.197 ± 0.011 Å
• b: 11.102 ± 0.009 Å
• c: 14.265 ± 0.012 Å
• α: 90°
• β: 111.786 ± 0.014°
• 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No