Information card for entry 2005164

Structure parameters

• Common name: Chromen
• Chemical name: 3,3-diphenyl-[3H]-naphto[2,1-b]pyrane
• Formula: C25 H18 O
• Calculated formula: C25 H18 O
• SMILES: c1ccc(cc1)C1(C=Cc2c(O1)ccc1c2cccc1)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: 33.979 ± 0.007 Å
• b: 6.398 ± 0.001 Å
• c: 16.999 ± 0.003 Å
• α: 90°
• β: 71.69 ± 0.03°
• γ: 90°
• Cell volume: 3508.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.05
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No