Information card for entry 2200191

Structure parameters

• Chemical name: Diethyl 2-(acridin-9-ylmethylene)malonate
• Formula: C21 H19 N O4
• Calculated formula: C21 H19 N O4
• SMILES: c1(c2ccccc2nc2ccccc12)/C=C(\C(=O)OCC)C(=O)OCC
• Title of publication: Diethyl 2-(acridin-9-ylmethylene)malonate
• Authors of publication: Senhaji, Fatima-Zahra; El-Bali, Brahim; Kerbal, Abdelali; Tajdine, Janati; Bitit, Najib; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: o298 - o299
• a: 9.8535 ± 0.0007 Å
• b: 14.888 ± 0.001 Å
• c: 12.5317 ± 0.0008 Å
• α: 90°
• β: 108.805 ± 0.005°
• γ: 90°
• Cell volume: 1740.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes