Information card for entry 7116506

Structure parameters

• Common name: 2,10BrNP
• Chemical name: 2,10dibromo3(2isopropylphenyl)3(4methoxyphenyl)3Hbenzo[f]chromene
• Formula: C29 H24 Br2 O2
• Calculated formula: C29 H24 Br2 O2
• SMILES: BrC1=Cc2c3c(Br)cccc3ccc2OC1(c1ccccc1C(C)C)c1ccc(OC)cc1
• Title of publication: Rational molecular designs for drastic acceleration of the color-fading speed of photochromic naphthopyrans
• Authors of publication: Katsutoshi Arai; Yoichi Kobayashi; Jiro Abe
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 3057
• a: 8.9872 ± 0.0017 Å
• b: 9.0894 ± 0.0017 Å
• c: 15.463 ± 0.003 Å
• α: 79.651 ± 0.002°
• β: 77.966 ± 0.002°
• γ: 77.931 ± 0.002°
• Cell volume: 1195.8 ± 0.4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No