Information card for entry 2005166

Structure parameters

• Common name: Chromen
• Chemical name: 3,3-diphenyl-8,9-pentamethyl-[3H]-furano[3,2-f]chromene or 7,7-diphenyl-[7H]-benzofurano[2,3-g]chromene
• Formula: C27 H18 O2
• Calculated formula: C27 H18 O2
• SMILES: c1ccc(cc1)C1(C=Cc2c(O1)cc1c(c2)oc2c1cccc2)c1ccccc1
• Title of publication: Specific Structural Features and Photochemical Properties of Three Benzo-Annulated 2,2-Diphenyl[2<i>H</i>]chromenes
• Authors of publication: Aldoshin, S.; Chuev, I.; Utenyshev, A.; Filipenko, O.; Pozzo, J. L.; Lokshin, V.; Guglielmetti, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1834 - 1838
• a: 10.531 ± 0.006 Å
• b: 21.637 ± 0.009 Å
• c: 8.55 ± 0.007 Å
• α: 90°
• β: 99.98 ± 0.02°
• γ: 90°
• Cell volume: 1919 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.0432
• Goodness-of-fit parameter for all reflections: 0.75
• Goodness-of-fit parameter for significantly intense reflections: 0.75
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No