Information card for entry 2001865

Structure parameters

• Formula: C21 H28 N2
• Calculated formula: C21 H28 N2
• SMILES: C1CCN2[C@@H](C1)[C@H]1C[C@@H](C2)[C@@H]2N(C1)C(=CCC2)c1ccccc1
• Title of publication: Structure of 2-phenyl-2-dehydrosparteine
• Authors of publication: Katrusiak, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 497 - 500
• a: 7.57 ± 0.001 Å
• b: 9.4313 ± 0.0007 Å
• c: 12.485 ± 0.001 Å
• α: 90°
• β: 102.21 ± 0.01°
• γ: 90°
• Cell volume: 871.2 ± 0.15 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 1 21 1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No