Information card for entry 1562505

Structure parameters

• Common name: 8-Hydroxy-6-methoxy-7-(3-methylbut-2-enyloxy)coumarin
• Chemical name: 8-Hydroxy-6-methoxy-7-(3-methylbut-2-enyloxy)-2<i>H</i>-chromen-2-one
• Formula: C15 H16 O5
• Calculated formula: C15 H16 O5
• Title of publication: 8-Hydroxy-6-methoxy-7-(3-methylbut-2-enyloxy)coumarin (capensine)
• Authors of publication: Mamadrakhimov, Azimjon; Mutalliyev, Luqmonjon; Abdullaev, Sirojiddin; Khodjaniyazov, Khamid; Izotova, Lidiya; Aisa, Haji Akber
• Journal of publication: IUCrData
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 5
• Pages of publication: x210451
• a: 11.4373 ± 0.0002 Å
• b: 9.2045 ± 0.0001 Å
• c: 13.9862 ± 0.0002 Å
• α: 90°
• β: 112.03 ± 0.002°
• γ: 90°
• Cell volume: 1364.89 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes