Information card for entry 8100017

Structure parameters

• Formula: C14 H21 N O2
• Calculated formula: C14 H21 N O2
• SMILES: C1CCN2CC3=CCC(=C[C@H]3[C@]([C@@H]12)(C)O)OC.C1CCN2CC3=CCC(=C[C@@H]3[C@@]([C@H]12)(C)O)OC
• Title of publication: Crystal structure of (9aRS,10SR,10aRS)-8-methoxy-10-methyl-1,2,3,5, 7,9a,10,10a-octahydro pyrrolo-[1,2- b]isoquinoline-10-ol, C~14~H~21~NO~2~
• Authors of publication: Gross, S.; Brüdgam, I.; Hartl, H.; Reißig, H.-U.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 1
• Pages of publication: 57 - 58
• a: 10.597 ± 0.002 Å
• b: 12.684 ± 0.003 Å
• c: 9.79 ± 0.002 Å
• α: 90°
• β: 104.466 ± 0.004°
• γ: 90°
• Cell volume: 1274.3 ± 0.5 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 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