Information card for entry 1550663

Structure parameters

• Formula: C32 H26 Br Cl N2 O2
• Calculated formula: C32 H26 Br1.004 Cl0.996 N2 O2
• SMILES: Brc1c(O)cc(O)c(Br)c1.n1ccc(cc1)/C=C/c1ccccc1.n1ccc(cc1)/C=C/c1ccccc1
• Title of publication: Regioselective photoreactions within a series of mixed co-crystals containing isosteric dihalogenated resorcinols with 4-stilbazole.
• Authors of publication: Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2019
• Journal volume: 18
• Journal issue: 5
• Pages of publication: 989 - 992
• a: 10.9647 ± 0.0008 Å
• b: 11.016 ± 0.0008 Å
• c: 11.6107 ± 0.001 Å
• α: 91.273 ± 0.004°
• β: 97.696 ± 0.004°
• γ: 91.769 ± 0.004°
• Cell volume: 1388.64 ± 0.19 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No