Information card for entry 4021054

Structure parameters

• Formula: C52 H56 N6
• Calculated formula: C52 H56 N6
• SMILES: n1c(c(nc(c1c1ccc2[C@@H]3C([C@H](Cc2n1)C3)(C)C)c1ccc2[C@@H]3C([C@H](Cc2n1)C3)(C)C)c1ccc2[C@@H]3C([C@H](Cc2n1)C3)(C)C)c1ccc2[C@@H]3C([C@H](Cc2n1)C3)(C)C
• Title of publication: Synthesis and Characterization of Highly Conjugated, Chiral Bridging Ligands
• Authors of publication: Angela L. Sauers; Douglas M. Ho; Stefan Bernhard
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 8910 - 8915
• a: 7.6254 ± 0.0001 Å
• b: 11.3678 ± 0.0003 Å
• c: 13.1788 ± 0.0004 Å
• α: 102.452 ± 0.001°
• β: 96.396 ± 0.001°
• γ: 105.312 ± 0.001°
• Cell volume: 1058.59 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No