Information card for entry 7122226

Structure parameters

• Formula: C42 H49 N O7 S Si
• Calculated formula: C42 H49 N O7 S Si
• Title of publication: Asymmetric synthesis of polysubstituted methylenecyclobutanes via catalytic [2+2] cycloaddition reactions of N-allenamides.
• Authors of publication: Zhong, Xia; Tang, Qiong; Zhou, Pengfei; Zhong, Ziwei; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 74
• Pages of publication: 10511 - 10514
• a: 14.938 ± 0.0002 Å
• b: 19.9785 ± 0.0003 Å
• c: 13.3618 ± 0.0002 Å
• α: 90°
• β: 97.025 ± 0.001°
• γ: 90°
• Cell volume: 3957.74 ± 0.1 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No