Information card for entry 7051437

Structure parameters

• Formula: C15 H17 N O3
• Calculated formula: C15 H17 N O3
• SMILES: N1(=O)=C(C[C@]23c4cccc(O)c4O[C@]12CCCC3)C.N1(=O)=C(C[C@@]23c4cccc(O)c4O[C@@]12CCCC3)C
• Journal of publication: New Journal of Chemistry
• Year of publication: 1999
• a: 7.161 ± 0.002 Å
• b: 8.296 ± 0.003 Å
• c: 11.377 ± 0.003 Å
• α: 77.42 ± 0.03°
• β: 82.78 ± 0.03°
• γ: 68.75 ± 0.03°
• Cell volume: 614 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No