Information card for entry 7110086

Structure parameters

• Formula: C77 H103 Co N13 O25 P
• Calculated formula: C76.871 H102.742 Co N13 O24.585 P
• Title of publication: Reduction-free synthesis of stable acetylide cobalamins
• Authors of publication: Mikolaj Chrominski; Agnieszka Lewalska; Dorota Gryko
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 11406
• a: 15.8339 ± 0.0004 Å
• b: 21.8117 ± 0.0006 Å
• c: 25.9778 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8971.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0633
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No