Information card for entry 2100765

Structure parameters

• Formula: C17 H27 N O3
• Calculated formula: C17 H27 N O3
• SMILES: O[C@H]1[C@H](CCCCCc2c1cccc2)N1CCOCC1.O.O[C@@H]1[C@@H](CCCCCc2c1cccc2)N1CCOCC1.O
• Title of publication: Synthesis and structure of new bronchospasmolytic agents. I
• Authors of publication: Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Gregoire, B.; Mouaddib, A.; Caubère, P.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 2
• Pages of publication: 178 - 185
• a: 10.063 ± 0.009 Å
• b: 19.398 ± 0.005 Å
• c: 8.67 ± 0.005 Å
• α: 90°
• β: 110.56 ± 0.01°
• γ: 90°
• Cell volume: 1584.6 ± 1.7 ų
• 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
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No