Information card for entry 7159604

Structure parameters

• Formula: C12 H15 Cl N3 O1.5
• Calculated formula: C12 H15 Cl N3 O1.5
• 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: 12.4988 ± 0.0003 Å
• b: 7.09306 ± 0.00015 Å
• c: 13.9973 ± 0.0003 Å
• α: 90°
• β: 102.543 ± 0.002°
• γ: 90°
• Cell volume: 1211.31 ± 0.05 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No