Information card for entry 2010414

Structure parameters

• Common name: Chromene
• Chemical name: 8,8-diphenyl-[8H]-pyrano[3,2-f] quinoline
• Formula: C24 H17 N O
• Calculated formula: C24 H17 N O
• SMILES: c1ccc(cc1)C1(C=Cc2c(O1)ccc1c2cccn1)c1ccccc1
• Title of publication: A Photochromic Pyrido-Annulated 2,2-Diphenylchromene
• Authors of publication: Aldoshin, Sergey; Chuev, Igor; Utenyshev, Andrei; Lokshin, Vladimir; Pozzo, Jean Luc; Pèpe, Gérard; Guglielmetti, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 1
• Pages of publication: 141 - 143
• a: 11.83 ± 0.02 Å
• b: 8.36 ± 0.02 Å
• c: 18.32 ± 0.04 Å
• α: 90°
• β: 71.55 ± 0.03°
• γ: 90°
• Cell volume: 1719 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0764
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections: 0.2335
• Weighted residual factors for significantly intense reflections: 0.0547
• Goodness-of-fit parameter for all reflections: 0.681
• Goodness-of-fit parameter for significantly intense reflections: 0.766
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No