Information card for entry 7150811

Structure parameters

• Common name: in paper 2a
• Formula: C37 H31 N O4
• Calculated formula: C37 H31 N O4
• Title of publication: Dichotomies in microwave-assisted propargyl-isomerization‒Claisen domino sequences dependent on base strengths
• Authors of publication: D'Souza, Daniel M.; Liao, Wei-Wei; Rominger, Frank; Müller, Thomas J. J.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 532 - 539
• a: 15.348 ± 0.002 Å
• b: 8.806 ± 0.001 Å
• c: 22.612 ± 0.004 Å
• α: 90°
• β: 109.831 ± 0.003°
• γ: 90°
• Cell volume: 2874.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No