Information card for entry 7100433

Structure parameters

• Common name: trans-2,8-dimethoxypterocarpan
• Chemical name: (6aR*,11aS*)-6a,11a-dihydro-2,8-dimethoxy-6H-benzofuro[3,2-c]chromene
• Formula: C17 H16 O4
• Calculated formula: C17 H16 O4
• SMILES: O(c1cc2c(OC[C@H]3c4c(O[C@H]23)ccc(OC)c4)cc1)C.O(c1cc2c(OC[C@@H]3c4c(O[C@@H]23)ccc(OC)c4)cc1)C
• Title of publication: Straightforward synthesis of sulfur bridged oligopyrrolic macrocycles
• Authors of publication: Jonathan L. Sessler; Thomas Kohler; Vincent Lynch; David Sanchez-Garcia; Daniel Seidel
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 8.0941 ± 0.0008 Å
• b: 8.7487 ± 0.0008 Å
• c: 10.2094 ± 0.001 Å
• α: 78.617 ± 0.002°
• β: 82.94 ± 0.002°
• γ: 77.161 ± 0.002°
• Cell volume: 688.65 ± 0.11 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No