Information card for entry 1551594

Structure parameters

• Formula: C23 H29 N5 O5
• Calculated formula: C23 H29 N5 O5
• SMILES: C(=O)(Nc1cc2cnc(cc2n(c1=O)C)NCCN(C)C)c1cc(OC)c(OC)c(OC)c1
• Title of publication: Crystal Structure of <i>N</i>-(7-{[2-(Dimethylamino)ethyl]amino}-1-methyl-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl)-3,4,5-trimethoxybenzamide
• Authors of publication: GUILLON, Jean; MONTOIR, David; MARCHIVIE, Mathieu; DUFLOS, Muriel; BAZIN, Marc-Antoine
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2017
• Journal volume: 33
• Journal issue: 0
• Pages of publication: 41
• a: 9.3554 ± 0.0004 Å
• b: 11.445 ± 0.0005 Å
• c: 11.5629 ± 0.0004 Å
• α: 87.14 ± 0.002°
• β: 78.807 ± 0.0019°
• γ: 69.2119 ± 0.0019°
• Cell volume: 1135.21 ± 0.08 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No