Information card for entry 7062962

Structure parameters

• Formula: C25 H36 Co2 N2 O10 Si
• Calculated formula: C25 H36 Co2 N2 O10 Si
• SMILES: [Co]12([Co]3([C]1([C@@H]([C@H](C(=O)N[C@H](COC(=O)N(OC)C)C(C)C)C)CC)=[C]23[Si](C)(C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• 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: 9.0216 ± 0.0003 Å
• b: 13.8726 ± 0.0005 Å
• c: 24.6824 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3089.08 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0367
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No