Information card for entry 2007175

Structure parameters

• Chemical name: 1,1-Dimethyl-4a-pyrolidin-1-yl-2,8b-di-p-tolyl-1,1a,4a,5,6,7,8,8a,8b,8c- decahydro-cis-1a-cis-4a-transoid-8a,8b-transoid-8b,8c-3,3a-diaza-cyclopropa [c]fluoren-4,4-dicarbonitril
• Formula: C34 H39 N5
• Calculated formula: C34 H39 N5
• Title of publication: Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts
• Authors of publication: Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 509 - 513
• a: 9.2212 ± 0.0004 Å
• b: 18.0246 ± 0.001 Å
• c: 17.4099 ± 0.0008 Å
• α: 90°
• β: 101.016 ± 0.005°
• γ: 90°
• Cell volume: 2840.4 ± 0.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.0503
• Goodness-of-fit parameter for all reflections: 0.713
• Goodness-of-fit parameter for significantly intense reflections: 0.95
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No