Information card for entry 2013405

Structure parameters

• Common name: Imperatorin, Phellopterin
• Chemical name: 8-(3-methylbut-2-enyloxy)furo[3,2-g]chromen-7-one 5-methoxy-8-(3-methylbut-2-enyloxy)furo[3,2-g]chromen-7-one (0.93/0.07)
• Formula: C16.08 H14.15 O4.08
• Calculated formula: C16.074 H14.148 O4.074
• Title of publication: A mixed crystal of imperatorin and phellopterin, with C—H···O, C—H···π and π‒π interactions
• Authors of publication: Philip J Cox; Marcel Jaspars; Yashodharan Kumarasamy; Lutfun Nahar; Satyajit D. Sarker; Mohammad Shoeb
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o520 - o522
• a: 11.0551 ± 0.0004 Å
• b: 11.7236 ± 0.0004 Å
• c: 11.8718 ± 0.0005 Å
• α: 64.1855 ± 0.0018°
• β: 89.6613 ± 0.0016°
• γ: 83.484 ± 0.002°
• Cell volume: 1374.53 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1638
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes