Information card for entry 2204195

Structure parameters

• Common name: Imperatorin
• Chemical name: 9-(3-methylbut-2-enyloxy)-7H-furo[3,2-g]chromen-7-one
• Formula: C16 H14 O4
• Calculated formula: C16 H14 O4
• Title of publication: Conformations of imperatorin
• Authors of publication: Atta-ur-Rahman; Zareen, Seema; Choudhary, M. Iqbal; Shaheen, Farzana; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1460 - o1462
• a: 11.041 ± 0.006 Å
• b: 11.729 ± 0.006 Å
• c: 11.8 ± 0.007 Å
• α: 64.72 ± 0.04°
• β: 89.47 ± 0.03°
• γ: 84.17 ± 0.02°
• Cell volume: 1373.6 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes