Information card for entry 7150330

Structure parameters

• Formula: C13 H14 N4 O2
• Calculated formula: C13 H14 N4 O2
• Title of publication: Microwave assisted Leimgruber-Batcho reaction for the preparation of indoles, azaindoles and pyrroylquinolines.
• Authors of publication: Siu, Jason; Baxendale, Ian R.; Ley, Steven V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 160 - 167
• a: 8.9586 ± 0.0005 Å
• b: 16.1012 ± 0.0009 Å
• c: 18.1413 ± 0.001 Å
• α: 90°
• β: 97.258 ± 0.002°
• γ: 90°
• Cell volume: 2595.8 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1272
• Residual factor for significantly intense reflections: 0.1086
• Weighted residual factors for significantly intense reflections: 0.3476
• Weighted residual factors for all reflections included in the refinement: 0.3693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.575
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No