Information card for entry 4114663

Structure parameters

• Formula: C28 H30 N2 O4
• Calculated formula: C28 H30 N2 O4
• SMILES: Oc1c2cccc1Cc1cccc(c1O)Cc1c(O)c(Cc3c([O-])c(C2)ccc3)ccc1.[NH4+].N
• Title of publication: Supramolecular Stabilization of N2H7+
• Authors of publication: Jerry L. Atwood; Leonard J. Barbour; Agoston Jerga
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 2122 - 2123
• a: 7.4788 ± 0.001 Å
• b: 18.612 ± 0.003 Å
• c: 16.626 ± 0.002 Å
• α: 90°
• β: 98.998 ± 0.003°
• γ: 90°
• Cell volume: 2285.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No