Information card for entry 1569086

Structure parameters

• Common name: <i>N</i>-Methylserotonin hydrogen oxalate
• Chemical name: [2-(5-Hydroxy-1<i>H</i>-indol-3-yl)ethyl](methyl)azanium hydrogen oxalate
• Formula: C13 H16 N2 O5
• Calculated formula: C13 H16 N2 O5
• Title of publication: N-Methylserotonin hydrogen oxalate
• Authors of publication: Naeem, Marilyn; Anas, Nicholas A.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 5
• a: 5.7044 ± 0.0004 Å
• b: 9.9485 ± 0.0007 Å
• c: 11.7687 ± 0.0007 Å
• α: 90°
• β: 90.321 ± 0.002°
• γ: 90°
• Cell volume: 667.87 ± 0.08 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300.15 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No