Information card for entry 4087696

Structure parameters

• Formula: C32 H42 B Mo N9 O4
• Calculated formula: C32 H42 B Mo N9 O4
• Title of publication: Synthesis of 2-Substituted 1,2-Dihydronaphthalenes and 1,2-Dihydroanthracenes Using a Recyclable Molybdenum Dearomatization Agent
• Authors of publication: Myers, Jeffery T.; Shivokevich, Philip J.; Pienkos, Jared A.; Sabat, Michal; Myers, William H.; Harman, W. Dean
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 14
• Pages of publication: 3648
• a: 13.4488 ± 0.0009 Å
• b: 21.3636 ± 0.0015 Å
• c: 24.1495 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6938.5 ± 0.8 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No