Information card for entry 7213190

Structure parameters

• Common name: 4-(N-Hexylbenz[c,d]indolinylidenemethyl)-2- (4-julolidinyl)-3-cyclobutene-1,3-dione
• Formula: C37 H39 N2 O3
• Calculated formula: C37 H39 N2 O3
• Title of publication: Synthesis of novel unsymmetrical squarylium dyes absorbing in the near-infrared region †
• Authors of publication: Yagi, Shigeyuki; Hyodo, Yutaka; Matsumoto, Shinya; Takahashi, Naoki; Kono, Hiroshi; Nakazumi, Hiroyuki
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 4
• Pages of publication: 599
• a: 14.427 ± 0.006 Å
• b: 15.199 ± 0.006 Å
• c: 7.498 ± 0.003 Å
• α: 98.72 ± 0.03°
• β: 99.51 ± 0.03°
• γ: 106.61 ± 0.03°
• Cell volume: 1519.1 ± 1.1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.127
• Residual factor for significantly intense reflections: 0.127
• Weighted residual factors for all reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.095
• Goodness-of-fit parameter for all reflections: 2.67
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No