Information card for entry 4021053

Structure parameters

• Formula: C58 H71 N6 O1.5
• Calculated formula: C52 H56 N6
• SMILES: c1(nc(c2cc3c([C@H]4C([C@@H](C3)C4)(C)C)cn2)c(nc1c1cc2c([C@H]3C([C@@H](C2)C3)(C)C)cn1)c1cc2c([C@H]3C([C@@H](C2)C3)(C)C)cn1)c1cc2c([C@H]3C([C@@H](C2)C3)(C)C)cn1
• 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: 10.6924 ± 0.0002 Å
• b: 33.0953 ± 0.0007 Å
• c: 14.2824 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5054.1 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No