Information card for entry 2201011

Structure parameters

• Chemical name: 3-Ethoxy-7-methoxycarbonyl-4-phenyl-tricyclco-[4,2,1,0-(2,5)]non-3-ene
• Formula: C20 H22 O4
• Calculated formula: C20 H22 O4
• Title of publication: 3-Ethoxy-7-methoxycarbonyl-4-phenyltricyclo[4.2.1.0^2,5^]non-3-ene
• Authors of publication: Schlaf, Marcel; Jordan, Robert; Tam, William
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: o629 - o630
• a: 12.842 ± 0.008 Å
• b: 9.831 ± 0.008 Å
• c: 18.063 ± 0.006 Å
• α: 90°
• β: 131.44 ± 0.02°
• γ: 90°
• Cell volume: 1709.5 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0842
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes