Information card for entry 7204325

Structure parameters

• Formula: C20 H24 N2
• Calculated formula: C20 H24 N2
• SMILES: N1([C@@H](c2ccccc2CC1)[C@H]1N(CCc2c1cccc2)C)C.N1([C@H](c2ccccc2CC1)[C@@H]1N(CCc2c1cccc2)C)C
• Title of publication: Synthesis and properties of a chiral bis-tetrahydroisoquinoline proton sponge
• Authors of publication: Elliott, Mark C.; Williams, Eve; Howard, Siân T.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2002
• Journal issue: 2
• Pages of publication: 201 - 203
• a: 11.039 ± 0.002 Å
• b: 7.791 ± 0.002 Å
• c: 19.001 ± 0.004 Å
• α: 90°
• β: 104.31 ± 0.03°
• γ: 90°
• Cell volume: 1583.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1316
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No