Information card for entry 2000455

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: 5.96 ± 0.001 Å
• b: 9.569 ± 0.002 Å
• c: 10.679 ± 0.002 Å
• α: 96.82 ± 0.02°
• β: 98.32 ± 0.02°
• γ: 90.32 ± 0.02°
• Cell volume: 598.2 ± 0.2 ų
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No