Information card for entry 7159605

Structure parameters

• Formula: C15 H20 N4 O3
• Calculated formula: C15 H20 N4 O3
• SMILES: O=C(NCNCC(=O)OC)[C@H](N)Cc1c2c([nH]c1)cccc2
• Title of publication: Support studies toward the hicksoane alkaloids reveal cascade reactions of a (tryptophanamido)methylglycinate.
• Authors of publication: Lee, Stephanie; Söhnel, Tilo; Sperry, Jonathan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 43
• Pages of publication: 8708 - 8715
• a: 16.2851 ± 0.0013 Å
• b: 5.2346 ± 0.0004 Å
• c: 18.9492 ± 0.0016 Å
• α: 90°
• β: 112.304 ± 0.01°
• γ: 90°
• Cell volume: 1494.5 ± 0.2 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 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: 0.0636
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No