Information card for entry 7227444

Structure parameters

• Common name: 2,3-dibromonaphthalene
• Chemical name: 2,3-dibromonaphthalene
• Formula: C10 H6 Br2
• Calculated formula: C10 H6 Br2
• SMILES: c1c(c(cc2ccccc12)Br)Br
• Title of publication: Single molecules of terrylene in di-substituted naphthalenes crystallizing in the herringbone pattern
• Authors of publication: Białkowska, Magda; Chaładaj, Wojciech; Deperasińska, Irena; Drzewiecka-Antonik, Aleksandra; Koziol, Anna E.; Makarewicz, Artur; Kozankiewicz, Bolesław
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 2780
• a: 11.692 ± 0.003 Å
• b: 7.545 ± 0.003 Å
• c: 20.193 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1781.3 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No