Information card for entry 7125214

Structure parameters

• Common name: VCINA2
• Formula: C18 H20 N4 O8
• Calculated formula: C18 H20 N4 O8
• Title of publication: pH-Switchable vitamin B₉ gels for stoichiometry-controlled spherical co-crystallization.
• Authors of publication: Wang, Jian-Rong; Bao, Junjie; Fan, Xiaowu; Dai, Wenjuan; Mei, Xuefeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 92
• Pages of publication: 13452 - 13455
• a: 8.934 ± 0.0009 Å
• b: 5.1587 ± 0.0005 Å
• c: 43.225 ± 0.004 Å
• α: 90°
• β: 93 ± 0.007°
• γ: 90°
• Cell volume: 1989.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 3
• Hermann-Mauguin space group symbol: P 1 2 1
• Hall space group symbol: P 2y
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No