Information card for entry 7211829

Structure parameters

• Formula: C20 H21 N3 O2
• Calculated formula: C20 H21 N3 O2
• SMILES: c12c(cccc1cccn2)NCC(=O)NCCc1ccc(cc1)OC
• Title of publication: Different spatial orientations of amide derivatives on anion coordination
• Authors of publication: Kalita, Dipjyoti; Baruah, Jubaraj B.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1562
• a: 14.6536 ± 0.0008 Å
• b: 22.5764 ± 0.0012 Å
• c: 5.3987 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1786.03 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No