Information card for entry 7062963

Structure parameters

• Formula: C19 H36 N2 O4 Si
• Calculated formula: C19 H36 N2 O4 Si
• Title of publication: Synthesis of chiral hexynones for use as precursors to native photosynthetic hydroporphyrins
• Authors of publication: Chau Nguyen, Khiem; Chung, Duy T. M.; Nalaoh, Phattananawee; Lindsey, Jonathan S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 2097 - 2117
• a: 9.5029 ± 0.0004 Å
• b: 44.825 ± 0.002 Å
• c: 11.1259 ± 0.0006 Å
• α: 90°
• β: 90.692 ± 0.003°
• γ: 90°
• Cell volume: 4738.9 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0918
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.2241
• Weighted residual factors for all reflections included in the refinement: 0.2413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No