Information card for entry 7156770

Structure parameters

• Formula: C23 H18 F N O4
• Calculated formula: C23 H18 F N O4
• Title of publication: A multi-component reaction for the synthesis of pyrido [1,2-b] isoquinoline derivatives via the [3 + 2] cycloaddition reaction between alkynes and in situ generated isoquinolinium ylides.
• Authors of publication: Shinde, Sundar S.; Laha, Soumi; Tiwari, Dharmendra K.; Sridhar, B.; Likhar, Pravin R.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 16
• Pages of publication: 4121 - 4128
• a: 8.6622 ± 0.0001 Å
• b: 10.7712 ± 0.0002 Å
• c: 11.176 ± 0.0002 Å
• α: 102.418 ± 0.0005°
• β: 97.3598 ± 0.0005°
• γ: 113.427 ± 0.0004°
• Cell volume: 907.48 ± 0.03 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1321
• 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