Information card for entry 7055122

Structure parameters

• Formula: C15 H14 O5
• Calculated formula: C15 H14 O5
• SMILES: C1(=O)C(=O)c2ccccc2C2=C1C[C@H]([C@](C)(CO)O)O2.C1(=O)C(=O)c2ccccc2C2=C1C[C@@H]([C@@](C)(CO)O)O2
• Title of publication: Conversion of lapachol to lomatiol: synthesis of novel naphthoquinone derivatives
• Authors of publication: Eyong, Kenneth O.; Chinthapally, Kiran; Senthilkumar, Soundararasu; Lamshöft, Marc; Folefoc, Gabriel N.; Baskaran, Sundarababu
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 12
• Pages of publication: 9611
• a: 14.1031 ± 0.0012 Å
• b: 10.4382 ± 0.0009 Å
• c: 17.8607 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2629.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No