Information card for entry 4020117

Structure parameters

• Common name: H2salamo
• Formula: C16 H16 N2 O4
• Calculated formula: C16 H16 N2 O4
• 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: 4.6416 ± 0.0004 Å
• b: 15.0604 ± 0.0011 Å
• c: 20.9786 ± 0.0014 Å
• α: 92.323 ± 0.003°
• β: 93.095 ± 0.003°
• γ: 98.4404 ± 0.0016°
• Cell volume: 1446.75 ± 0.19 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No