Information card for entry 2000456

Structure parameters

• Formula: C15 H14 O3
• Calculated formula: C15 H14 O3
• SMILES: CC(=CCC1=C(O)C(=O)c2c(C1=O)cccc2)C
• Title of publication: Structures of two crystalline modifications of lapachol
• Authors of publication: Larsen, I. K.; Andersen, L. A.; Pedersen, B. F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 2009 - 2013
• a: 6.035 ± 0.001 Å
• b: 9.427 ± 0.002 Å
• c: 20.918 ± 0.005 Å
• α: 90°
• β: 98.27 ± 0.02°
• γ: 90°
• Cell volume: 1177.7 ± 0.4 ų
• 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
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No