Information card for entry 4515966

Structure parameters

• Common name: R1
• Formula: C20 H28 Cl N O P Sn
• Calculated formula: C20 H28 Cl N O P Sn
• SMILES: [Sn]1(Cl)([O]=[P@@](N[C@H](C(C)(C)C)C)(c2ccccc2)c2c1cccc2)(C)C
• Title of publication: Synthesis of P-Stereogenic Benzoazaphosphole 1-Oxides via Alkynylation of P-Stereogenic ortho-Aurated and ortho-Iodo Phosphinic Amides.
• Authors of publication: Soengas, Raquel; Belmonte Sánchez, Eva; Iglesias, María José; López Ortiz, Fernando
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 5
• Pages of publication: 5116 - 5124
• a: 9.4402 ± 0.0005 Å
• b: 15.011 ± 0.0008 Å
• c: 15.5913 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2209.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No