Information card for entry 7125215

Structure parameters

• Common name: VCNA
• Formula: C24 H28 N4 O14
• Calculated formula: C24 H28 N4 O14
• 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: 5.0886 ± 0.0002 Å
• b: 7.2518 ± 0.0003 Å
• c: 17.1681 ± 0.0007 Å
• α: 93.324 ± 0.003°
• β: 93.952 ± 0.003°
• γ: 97.338 ± 0.003°
• Cell volume: 625.42 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1927
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No