Information card for entry 4504751

Structure parameters

• Formula: C20 H25 N3 O2
• Calculated formula: C20 H25 N3 O2
• SMILES: CN(CCNc1c2c3c(cc1)C(=O)N(C(=O)c3ccc2)CCCC)C
• Title of publication: Long and Short Brick Network Architecture: Role of Water Molecules Acting as Three-Connecting Spacers
• Authors of publication: Banthia, Sandip; Samanta, Anunay
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 360
• a: 9.15 ± 0.003 Å
• b: 29.914 ± 0.009 Å
• c: 6.871 ± 0.002 Å
• α: 90°
• β: 95.43 ± 0.005°
• γ: 90°
• Cell volume: 1872.2 ± 1 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: 0.1033
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.2018
• Weighted residual factors for all reflections included in the refinement: 0.2232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No