Information card for entry 4115130

Structure parameters

• Formula: C20 H18 N2 O4
• Calculated formula: C20 H18 N2 O4
• Title of publication: The Topochemical 1,6-Polymerization of a Triene
• Authors of publication: Tram Hoang; Joseph W. Lauher; Frank W. Fowler
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 10656 - 10657
• a: 11.183 ± 0.004 Å
• b: 7.204 ± 0.002 Å
• c: 11.683 ± 0.004 Å
• α: 90°
• β: 113.89 ± 0.02°
• γ: 90°
• Cell volume: 860.6 ± 0.5 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 4
• 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: 0.0874
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for all reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections: 3.121
• Goodness-of-fit parameter for all reflections included in the refinement: 3.12
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No