Information card for entry 7238799

Structure parameters

• Formula: C14 H15 N O2
• Calculated formula: C14 H15 N O2
• Title of publication: Silver(i)-promoted oxidative cyclisation to pyrrolo[2,1-a]isoquinolines and application to the synthesis of (±)-crispine A
• Authors of publication: Agarwal, Sameer; Kataeva, Olga; Schmidt, Ulrike; Knölker, Hans-Joachim
• Journal of publication: RSC Adv.
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 1089
• a: 7.082 ± 0.001 Å
• b: 8.632 ± 0.001 Å
• c: 10.345 ± 0.001 Å
• α: 65.37 ± 0.01°
• β: 88.98 ± 0.01°
• γ: 83.89 ± 0.01°
• Cell volume: 571.36 ± 0.13 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 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: 0.0735
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No