Information card for entry 7219768

Structure parameters

• Formula: C23 H21 N O5
• Calculated formula: C23 H21 N O5
• SMILES: O(CC)C(=O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)OC)C(=O)n2c1cc1c2cccc1.O(CC)C(=O)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)OC)C(=O)n2c3ccccc3cc12
• Title of publication: Organocatalysed Michael addition on arylmethylidenemalonates involving 4-(2-nitrophenyl)acetoacetate : a diversity-oriented access to 8,9-dihydropyrido[1,2-a]indol-6(7H)-one and salicylate scaffolds
• Authors of publication: Samanta, Sampak; Srivastava, Anvita; Biswas, Soumen; Singh, Shivendra; Shaikh, Mobin M.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.8354 ± 0.0005 Å
• b: 13.4213 ± 0.0008 Å
• c: 16.8559 ± 0.0009 Å
• α: 95.977 ± 0.004°
• β: 103.638 ± 0.004°
• γ: 102.512 ± 0.004°
• Cell volume: 2082.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1252
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.2285
• Weighted residual factors for all reflections included in the refinement: 0.2855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No