Information card for entry 4037721

Structure parameters

• Formula: C40 H46 N4 O10
• Calculated formula: C40 H46 N4 O10
• Title of publication: Tolyporphins L-R: Unusual Tetrapyrroles from a Brasilonema sp. of Cyanobacterium.
• Authors of publication: Gurr, Joshua R.; Dai, Jingqiu; Philbin, Casey S.; Sartain, Hope T.; O'Donnell, Timothy J; Yoshida, Wesley Y.; Rheingold, Arnold L.; Williams, Philip G.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 49.8772 ± 0.0019 Å
• b: 13.6789 ± 0.0005 Å
• c: 26.949 ± 0.0009 Å
• α: 90°
• β: 105.632 ± 0.002°
• γ: 90°
• Cell volume: 17706.3 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1728
• Residual factor for significantly intense reflections: 0.1294
• Weighted residual factors for significantly intense reflections: 0.36
• Weighted residual factors for all reflections included in the refinement: 0.4066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.407
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No