Information card for entry 4020205

Structure parameters

• Formula: C18 H23 N O3
• Calculated formula: C18 H23 N O3
• SMILES: O=C1C[C@H]2[C@]3(N(CCc4cc(OC)c(OC)cc34)CCC2)C1.O=C1C[C@@H]2[C@@]3(N(CCc4cc(OC)c(OC)cc34)CCC2)C1
• Authors of publication: Wei-Dong Z. Li; Bao-Chun Ma
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 3277 - 3280
• a: 10.958 ± 0.002 Å
• b: 16.203 ± 0.003 Å
• c: 9.101 ± 0.002 Å
• α: 90°
• β: 91.3 ± 0.03°
• γ: 90°
• Cell volume: 1615.5 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No