Information card for entry 1552967

Structure parameters

• Formula: C39 H33 N5 O6
• Calculated formula: C39 H33 N5 O6
• 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: 21.99561 ± 0.00018 Å
• b: 9.3758 ± 0.00008 Å
• c: 31.7046 ± 0.0002 Å
• α: 90°
• β: 106.046 ± 0.0004°
• γ: 90°
• Cell volume: 6283.59 ± 0.09 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No