Information card for entry 7150812

Structure parameters

• Common name: in paper 11f
• Formula: C29 H24 O2
• Calculated formula: C29 H24 O2
• SMILES: O=C(C1CC(c2c1cccc2)(c1ccccc1)c1ccccc1)c1ccc(OC)cc1
• 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: 15.277 ± 0.003 Å
• b: 37.64 ± 0.008 Å
• c: 7.251 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4169.5 ± 1.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No