Information card for entry 4020364

Structure parameters

• Formula: C24 H30 N2 O5
• Calculated formula: C24 H30 N2 O5
• SMILES: n1(cc(c2ccccc12)c1c(nc(o1)CCCCC)C(=O)OCC)C(=O)OC(C)(C)C
• Authors of publication: James R. Davies; Peter D. Kane; Christopher J. Moody; Alexandra M. Z. Slawin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 5840 - 5851
• a: 7.5246 ± 0.001 Å
• b: 31.609 ± 0.004 Å
• c: 9.677 ± 0.0013 Å
• α: 90°
• β: 98.095 ± 0.002°
• γ: 90°
• Cell volume: 2278.7 ± 0.5 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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