Information card for entry 2312873

Structure parameters

• Formula: C8 H14 N4 O4
• Calculated formula: C12 H26 N2 O3
• Title of publication: Deciphering unusually large modulations in two related organic hydroxy channel structures.
• Authors of publication: van der Lee, Arie; Stroia, Ioan; Huang, Li Bo; Licsandru, Erol; Kocsis, Istvan; Deleanu, Mihail; Hübschle, Christian; Barboiu, Mihail; Pérez, Olivier
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2026
• Journal volume: 82
• Journal issue: Pt 4
• Pages of publication: 375 - 390
• a: 11.516 ± 0.0011 Å
• b: 4.6189 ± 0.001 Å
• c: 26.775 ± 0.002 Å
• α: 90°
• β: 91.41 ± 0.007°
• γ: 90°
• Cell volume: 1423.8 ± 0.4 ų
• Cell temperature: 176 K
• Ambient diffraction temperature: 176 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for significantly intense reflections: 1.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2122
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No