Information card for entry 7238937

Structure parameters

• Formula: C17 H18 O4
• Calculated formula: C17 H18 O4
• Title of publication: Selective synthesis of oxygen-containing heterocycles via tandem reactions of 1,2-allenic ketones with ethyl 4-chloroacetoacetate
• Authors of publication: Wang, Qiang; Xu, Zhouqing; Fan, Xuesen
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 13
• Pages of publication: 4156
• a: 9.4369 ± 0.0019 Å
• b: 17.895 ± 0.004 Å
• c: 8.6611 ± 0.0017 Å
• α: 90°
• β: 91.58 ± 0.03°
• γ: 90°
• Cell volume: 1462.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0627
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No