Information card for entry 7062961

Structure parameters

• Formula: C17 H31 N O3 Si
• Calculated formula: C17 H31 N O3 Si
• SMILES: C[Si](C#C[C@@H]([C@H]([C@H](N1[C@H](COC1=O)C(C)C)O)C)CC)(C)C
• 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: 6.1517 ± 0.0011 Å
• b: 11.1177 ± 0.0019 Å
• c: 14.455 ± 0.002 Å
• α: 90°
• β: 91.786 ± 0.006°
• γ: 90°
• Cell volume: 988.1 ± 0.3 ų
• Cell temperature: 100 ± 2 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: 0.0514
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No