Information card for entry 4023630

Structure parameters

• Chemical name: rac-5-Methoxy-5-methylspiro[5H-[1,3,4]oxadiazole-2,11'-endo-tricyclo- [6.2.1.0^2,7^]undec-9-ene]
• Formula: C14 H20 N2 O2
• Calculated formula: C14.0045 H20 N2.0045 O2.009
• Title of publication: Intermolecular Reactions of Foiled Carbenes with N-H Bonds: Evidence for an Ylidic Pathway
• Authors of publication: Jean-Luc Mieusset; Alexander Bespokoev; Mirjana Pacar; Michael Abraham; Vladimir B. Arion; Udo H. Brinker
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 6551 - 6558
• a: 6.2956 ± 0.0003 Å
• b: 23.4591 ± 0.0011 Å
• c: 9.0064 ± 0.0004 Å
• α: 90°
• β: 108.656 ± 0.002°
• γ: 90°
• Cell volume: 1260.26 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0407
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No