Information card for entry 4035349

Structure parameters

• Formula: C31 H36 O3
• Calculated formula: C31 H36 O3
• SMILES: Oc1c(cc(cc1C(C)(C)C)C(c1ccccc1)C(=C)C(=O)c1ccc(OC)cc1)C(C)(C)C
• Title of publication: Harnessing Nucleophilicity of Allenol Ester with p-Quinone Methides via Gold Catalysis: Application to the Synthesis of Diarylmethine-Substituted Enones.
• Authors of publication: Sharma, Brijesh M.; Rathod, Jayant; Gonnade, Rajesh G.; Kumar, Pradeep
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 16
• Pages of publication: 9353 - 9363
• a: 10.0553 ± 0.0003 Å
• b: 10.7561 ± 0.0004 Å
• c: 13.7858 ± 0.0005 Å
• α: 86.384 ± 0.001°
• β: 69.605 ± 0.001°
• γ: 71.368 ± 0.001°
• Cell volume: 1322.34 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No