Information card for entry 1552968

Structure parameters

• Formula: C37 H27 N5 O6
• Calculated formula: C37 H27 N5 O6
• SMILES: c12c(cc([nH]2)c2occc2)cc2c(n1)[nH]c(c2)c1occc1.O=C1NC(=O)c2ccc3c4c2c1ccc4C(=O)N(C1CCCCC1)C3=O
• Title of publication: Supramolecular control of organic p/n-heterojunctions by complementary hydrogen bonding.
• Authors of publication: Black, Hayden T.; Lin, Huaping; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F.
• Journal of publication: Faraday discussions
• Year of publication: 2014
• Journal volume: 174
• Pages of publication: 297 - 312
• a: 17.9367 ± 0.0003 Å
• b: 9.3501 ± 0.0002 Å
• c: 19.4676 ± 0.0003 Å
• α: 90°
• β: 112.562 ± 0.0009°
• γ: 90°
• Cell volume: 3015.03 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0515
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No