Information card for entry 8100162

Structure parameters

• Formula: C16 H24 N2 O4
• Calculated formula: C16 H24 N2 O4
• SMILES: [NH3+]C12CC3CC(C1)CC(C3)C2.[O-]c1ccc(N(=O)=O)cc1.O
• Title of publication: Crystal structure of 1-adamantylammonium 4-nitrophenolate hydrate, (C~10~H~15~NH~3~)(OC~6~H~4~NO~2~) · H~2~O
• Authors of publication: Guo, Wen-Sheng; Guo, Fang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 4
• Pages of publication: 383 - 384
• a: 6.433 ± 0.004 Å
• b: 11.366 ± 0.002 Å
• c: 22.406 ± 0.003 Å
• α: 90°
• β: 94.77 ± 0.04°
• γ: 90°
• Cell volume: 1632.4 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No