Information card for entry 4020118

Structure parameters

• Common name: H2(3-MeOsalamo)
• Formula: C18 H20 N2 O6
• Calculated formula: C18 H20 N2 O6
• Authors of publication: Shigehisa Akine; Takanori Taniguchi; Wenkui Dong; Sayuri Masubuchi; Tatsuya Nabeshima
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 1704 - 1711
• a: 4.694 ± 0.004 Å
• b: 14.616 ± 0.006 Å
• c: 12.356 ± 0.004 Å
• α: 90°
• β: 98.065 ± 0.003°
• γ: 90°
• Cell volume: 839.3 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2089
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.1696
• Weighted residual factors for all reflections included in the refinement: 0.233
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No