Information card for entry 1517944

Structure parameters

• Formula: C21 H18 N O2 P
• Calculated formula: C21 H18 N O2 P
• SMILES: P12Oc3c(C(N2c2cc(cc(c2)C)C)c2c(O1)cccc2)cccc3
• Title of publication: Bicyclic Bridgehead Phosphoramidite (Briphos) Ligands with Tunable π-Acceptor Ability and Catalytic Activity in the Rhodium-Catalyzed Conjugate Additions.
• Authors of publication: Lee, Ansoo; Ahn, Seihwan; Kang, Kyungjun; Seo, Min-Seob; Kim, Yeonjoon; Kim, Woo Youn; Kim, Hyunwoo
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 20
• Pages of publication: 5490 - 5493
• a: 10.895 ± 0.002 Å
• b: 6.6814 ± 0.0015 Å
• c: 23.895 ± 0.005 Å
• α: 90°
• β: 93.14 ± 0.006°
• γ: 90°
• Cell volume: 1736.8 ± 0.6 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No