Information card for entry 2001025

Structure parameters

• Formula: C20 H18 O6
• Calculated formula: C20 H18 O6
• SMILES: C1Oc2c(O1)cc(cc2)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2
• Title of publication: Structure of sesamin
• Authors of publication: Baures, P. W.; Miski, M.; Eggleston, D. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 3
• Pages of publication: 574 - 576
• a: 9.976 ± 0.004 Å
• b: 6.96 ± 0.004 Å
• c: 11.906 ± 0.004 Å
• α: 90°
• β: 93.67 ± 0.03°
• γ: 90°
• Cell volume: 825 ± 0.6 ų
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No