Information card for entry 7116472

Structure parameters

• Formula: C28 H25 N O2
• Calculated formula: C28 H25 N O2
• Title of publication: Synthesis of spiroindanes by palladium-catalyzed oxidative annulation of non- or weakly activated 1,3-dienes involving C-H functionalization.
• Authors of publication: Khan, Imtiaz; Chidipudi, Suresh Reddy; Lam, Hon Wai
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 13
• Pages of publication: 2613 - 2616
• a: 9.89753 ± 0.00016 Å
• b: 24.4163 ± 0.0004 Å
• c: 9.00094 ± 0.00016 Å
• α: 90°
• β: 93.3654 ± 0.0014°
• γ: 90°
• Cell volume: 2171.43 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No