Information card for entry 7160339

Structure parameters

• Formula: C51 H46 N6 O8 S
• Calculated formula: C51 H46 N6 O8 S
• Title of publication: Unexpected amine-triggered skeletal modification of fascaplysin and its derivatives: rapid access to δ,γ-biscarbolines.
• Authors of publication: Wang, Zizhen; Wang, Huanhuan; Xu, Mei; Wang, Liping; Liu, Sheng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 9
• Pages of publication: 2096 - 2100
• a: 11.8728 ± 0.0003 Å
• b: 13.25 ± 0.0003 Å
• c: 14.9033 ± 0.0004 Å
• α: 91.03 ± 0.002°
• β: 102.388 ± 0.002°
• γ: 112.335 ± 0.002°
• Cell volume: 2105.24 ± 0.1 ų
• Cell temperature: 104 ± 5 K
• Ambient diffraction temperature: 104 ± 5 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No