Information card for entry 7121361

Structure parameters

• Formula: C28 H24 N O3 P S
• Calculated formula: C28 H24 N O3 P S
• Title of publication: Copper-catalyzed decarboxylative cyclization via tandem C-P and C-N bond formation: access to 2-phosphorylmethyl indoles.
• Authors of publication: Wang, Bao-Cheng; Wang, Ya-Ni; Zhang, Mao-Mao; Xiao, Wen-Jing; Lu, Liang-Qiu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 25
• Pages of publication: 3154 - 3157
• a: 17.966 ± 0.004 Å
• b: 13.056 ± 0.003 Å
• c: 11.101 ± 0.003 Å
• α: 90°
• β: 106.658 ± 0.004°
• γ: 90°
• Cell volume: 2494.6 ± 1 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• 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: 0.1531
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No