Information card for entry 7160053

Structure parameters

• Formula: C23 H21 N O4
• Calculated formula: C23 H21 N O4
• Title of publication: Highly regio- and stereoselective (3 + 2) annulation reaction of allenoates with 3-methyleneindolin-2-ones catalyzed by a planar chiral [2.2]paracyclophane-based bifunctional phosphine-phenol catalyst.
• Authors of publication: Kitagaki, Shinji; Nakayoshi, Tomoki; Masunaka, Sota; Uchida, Akane; Inano, Mai; Yoshida, Emika; Washino, Yusuke; Aoyama, Hiroshi; Yoshida, Keisuke
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 38
• Pages of publication: 7817 - 7833
• a: 13.0103 ± 0.0008 Å
• b: 17.384 ± 0.0011 Å
• c: 17.8554 ± 0.0011 Å
• α: 88.347 ± 0.006°
• β: 69.418 ± 0.005°
• γ: 88.399 ± 0.006°
• Cell volume: 3778.3 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.1409
• Residual factor for significantly intense reflections: 0.1191
• Weighted residual factors for significantly intense reflections: 0.3659
• Weighted residual factors for all reflections included in the refinement: 0.3774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No