Information card for entry 4126602

Structure parameters

• Formula: C23 H18 O4
• Calculated formula: C23 H18 O4
• Title of publication: Through-Space Activation Can Override Substituent Effects in Electrophilic Aromatic Substitution.
• Authors of publication: Guan, Liangyu; Holl, Maxwell Gargiulo; Pitts, Cody Ross; Struble, Mark D.; Siegler, Maxime A.; Lectka, Thomas
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 14.9116 ± 0.0005 Å
• b: 10.7633 ± 0.0004 Å
• c: 21.0691 ± 0.0007 Å
• α: 90°
• β: 92.606 ± 0.003°
• γ: 90°
• Cell volume: 3378.1 ± 0.2 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 3
• 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: 0.0611
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No