Information card for entry 4088250

Structure parameters

• Formula: C23 H36 B2 F5 N8 O2 P W
• Calculated formula: C23 H36 B2 F5 N8 O2 P W
• SMILES: [W]123([P](C)(C)C)([n]4n(ccc4)[BH](n4[n]1ccc4)n1[n]2ccc1)(N=O)[CH]1[C@H](OC)[C@H](F)[C@H]2C(=[N+](CC2)CC)[CH]3=1.[B](F)(F)(F)[F-].[W]123([P](C)(C)C)([n]4n(ccc4)[BH](n4[n]1ccc4)n1[n]2ccc1)(N=O)[CH]1[C@@H](OC)[C@@H](F)[C@@H]2C(=[N+](CC2)CC)[CH]3=1.[B](F)(F)(F)[F-]
• Title of publication: Synthesis of Novel Hexahydroindoles from the Dearomatization of Indoline
• Authors of publication: MacLeod, Brianna L.; Pienkos, Jared A.; Wilson, Katy B.; Sabat, Michal; Myers, William H.; Harman, W. Dean
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 3
• Pages of publication: 370
• a: 15.6659 ± 0.0009 Å
• b: 16.048 ± 0.0009 Å
• c: 25.4887 ± 0.0015 Å
• α: 90°
• β: 100.752 ± 0.001°
• γ: 90°
• Cell volume: 6295.5 ± 0.6 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.232
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No