Information card for entry 4504750

Structure parameters

• Chemical name: N-butyl-4-(3-dimethylamino-propylamino)-1,8-naphthalimide
• Formula: C21 H29 N3 O3
• Calculated formula: C21 H29 N3 O3
• SMILES: O=C1c2c3c(c(NCCCN(C)C)cc2)cccc3C(=O)N1CCCC.O
• 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: 15.2548 ± 0.001 Å
• b: 15.9803 ± 0.001 Å
• c: 7.8589 ± 0.0005 Å
• α: 90°
• β: 91.344 ± 0.001°
• γ: 90°
• Cell volume: 1915.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0956
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No