Information card for entry 2312874

Structure parameters

• Formula: C12 H26 N2 O3
• 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: 4.638 ± 0.0004 Å
• b: 6.0367 ± 0.0007 Å
• c: 25.779 ± 0.002 Å
• α: 89.802 ± 0.008°
• β: 88.106 ± 0.007°
• γ: 71.19 ± 0.009°
• Cell volume: 682.83 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1871
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for significantly intense reflections: 2.037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3303
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No