Information card for entry 1502816

Structure parameters

• Common name: Altechromone A
• Chemical name: 5-Hydroxy-2,7-dimethy-chromen-4-one
• Formula: C11 H10 O3
• Calculated formula: C11 H10 O3
• SMILES: O1C(C)=CC(=O)c2c(O)cc(C)cc12
• Title of publication: Structural revision and synthesis of altechromone A.
• Authors of publication: Königs, P; Rinker, B.; Maus, L.; Nieger, M.; Rheinheimer, J.; Waldvogel, S. R.
• Journal of publication: Journal of natural products
• Year of publication: 2010
• Journal volume: 73
• Journal issue: 12
• Pages of publication: 2064 - 2066
• a: 6.9503 ± 0.0002 Å
• b: 16.4718 ± 0.0004 Å
• c: 8.2909 ± 0.0002 Å
• α: 90°
• β: 102.266 ± 0.001°
• γ: 90°
• Cell volume: 927.51 ± 0.04 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• 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
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No