Information card for entry 7109424

Structure parameters

• Formula: C26 H24 Br2 N2 O6
• Calculated formula: C26 H24 Br2 N2 O6
• SMILES: Brc1ccc2N(C(=O)OC(C)(C)C)/C(=C3/N(C(=O)OC(C)(C)C)c4ccc(Br)cc4C3=O)C(=O)c2c1
• Title of publication: A facile protection-deprotection route for obtaining indigo pigments as thin films and their applications in organic bulk heterojunctions
• Authors of publication: Eric Daniel Glowacki; Gundula Voss; Kadir Demirak; Marek Havlicek; Nevsal Sunger; Aysu Ceren Okur; Uwe Monkowius; Jacek Gasiorowski; Lucia Leonat; Niyazi Serdar Sariciftci
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6063
• a: 18.248 ± 0.007 Å
• b: 10.379 ± 0.005 Å
• c: 14.366 ± 0.006 Å
• α: 90°
• β: 111.215 ± 0.011°
• γ: 90°
• Cell volume: 2536.5 ± 1.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No