Information card for entry 4022315

Structure parameters

• Formula: C14 H10 N4
• Calculated formula: C14 H10 N4
• Title of publication: Reaction of 2,2-Bis(trifluoromethyl)-1,1-dicyanoethylene with 6,6-Dimethylfulvene: Cycloadditions and a Rearrangement
• Authors of publication: Michael H. Howard; Victor Alexander; William J. Marshall; D. Christopher Roe; Ya-Jun Zheng
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 120 - 129
• a: 14.592 ± 0.001 Å
• b: 14.909 ± 0.001 Å
• c: 11.28 ± 0.001 Å
• α: 90 ± 0.01°
• β: 90 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 2453.99 ų
• 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 significantly intense reflections: 4.77
• Weighted residual factors for significantly intense reflections: 5.09
• Goodness-of-fit parameter for significantly intense reflections: 2.49
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No