Information card for entry 4519398

Structure parameters

• Formula: C27 H20 Co2 N2 O12 S
• Calculated formula: C27 H20 Co2 N2 O12 S
• Title of publication: Synthesis of Endocyclic Cycloalkyne Amino Acids.
• Authors of publication: Rothman, Jeffrey H.
• Journal of publication: ACS omega
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 9053 - 9060
• a: 44.87 ± 0.02 Å
• b: 8.909 ± 0.004 Å
• c: 14.807 ± 0.007 Å
• α: 90°
• β: 90.851 ± 0.009°
• γ: 90°
• Cell volume: 5918 ± 5 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No