Information card for entry 2007784

Structure parameters

• Common name: spiro[fluorene-chromenes]
• Chemical name: spiro[fluorene-9,2'-[2H]naphto[1,2-b]pyrane
• Formula: C25 H16 O
• Calculated formula: C25 H16 O
• SMILES: c1cccc2c1C1(c3c2cccc3)C=Cc2c(O1)c1c(cc2)cccc1
• Title of publication: Photochromic Properties of Spiro[fluorene-chromenes]
• Authors of publication: Aldoshin, Sergei; Chuev, Igor; Filipenko, Olga; Pozzo, Jean Luc; Lokshin, Vladimir; Pèpe, Gérard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1720 - 1722
• a: 14.768 ± 0.003 Å
• b: 7.057 ± 0.001 Å
• c: 17.999 ± 0.004 Å
• α: 90°
• β: 112.81 ± 0.03°
• γ: 90°
• Cell volume: 1729.1 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections: 0.1438
• Weighted residual factors for significantly intense reflections: 0.1049
• Goodness-of-fit parameter for all reflections: 1.18
• Goodness-of-fit parameter for significantly intense reflections: 1.122
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No