Information card for entry 4515965

Structure parameters

• Common name: RS163B
• Formula: C20 H24 N O P
• Calculated formula: C20 H24 N O P
• SMILES: [P@]1(=O)(N(C(=C)c2c1cccc2)[C@H](C(C)(C)C)C)c1ccccc1
• 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: 9.384 ± 0.005 Å
• b: 11.242 ± 0.005 Å
• c: 9.451 ± 0.005 Å
• α: 90°
• β: 118.112 ± 0.006°
• γ: 90°
• Cell volume: 879.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1153
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No