Information card for entry 2100764

Structure parameters

• Formula: C15 H19 N O2
• Calculated formula: C15 H19 N O2
• SMILES: N1([C@@H]2[C@@]3(O)c4ccccc4[C@H]3CC2)CCOCC1.N1([C@H]2[C@]3(O)c4ccccc4[C@@H]3CC2)CCOCC1
• 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: 10.36 ± 0.005 Å
• b: 12.169 ± 0.005 Å
• c: 12.488 ± 0.004 Å
• α: 95.14 ± 0.1°
• β: 108.49 ± 0.12°
• γ: 114.69 ± 0.05°
• Cell volume: 1310.8 ± 1.9 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No