Information card for entry 7150322

Structure parameters

• Chemical name: 4,4'-methylenebis(N-salicylidene-2,6-diisopropylaniline)
• Formula: C39 H46 N2 O2
• Calculated formula: C39 H46 N2 O2
• SMILES: c1(c(cccc1)O)/C=N/c1c(C(C)C)cc(cc1C(C)C)Cc1cc(c(/N=C/c2c(cccc2)O)c(c1)C(C)C)C(C)C
• Title of publication: Photochromism of polymorphic 4,4'-methylenebis(N-salicylidene-2,6-diisopropylaniline) crystals.
• Authors of publication: Taneda, Masatsugu; Amimoto, Kiichi; Koyama, Hiroyuki; Kawato, Toshio
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 499 - 504
• a: 36.7 ± 0.004 Å
• b: 8.747 ± 0.004 Å
• c: 10.687 ± 0.004 Å
• α: 90°
• β: 92.62 ± 0.02°
• γ: 90°
• Cell volume: 3427 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No