Information card for entry 7151394

Structure parameters

• Chemical name: N-(3,5-dichlorosalicylidene)-2,6-diisopropylaniline
• Formula: C19 H21 Cl2 N O
• Calculated formula: C19 H21 Cl2 N O
• SMILES: Clc1c(O)c(cc(Cl)c1)/C=N/c1c(C(C)C)cccc1C(C)C
• Title of publication: Crystalline photochromism of N-salicylidene-2,6-dialkylanilines: advantage of 2,6-dialkyl substituents of aniline for preparation of photochromic Schiff base crystals
• Authors of publication: Fukuda, Hisatane; Amimoto, Kiichi; Koyama, Hiroyuki; Kawato, Toshio
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 9
• Pages of publication: 1578
• a: 11.228 ± 0.0007 Å
• b: 14.8658 ± 0.0008 Å
• c: 22.7359 ± 0.0013 Å
• α: 90°
• β: 91.153 ± 0.003°
• γ: 90°
• Cell volume: 3794.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0997
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No