Information card for entry 7249937

Structure parameters

• Formula: C21 H26 O5
• Calculated formula: C21 H26 O5
• Title of publication: Continuous flow synthesis of cyclobutenes via lithium ynolates
• Authors of publication: Kohyama, Aki; Namioka, Motoki; Naka, Hiroshi; Ashikari, Yosuke; Nagaki, Aiichiro; Takikawa, Hiroshi; Yamaoka, Yousuke; Takasu, Kiyosei
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 10
• Pages of publication: 2760 - 2765
• a: 5.52413 ± 0.00013 Å
• b: 15.246 ± 0.0004 Å
• c: 22.0591 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1857.84 ± 0.08 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No