Information card for entry 4027942

Structure parameters

• Formula: C30 H26 Cl2 N2
• Calculated formula: C30 H26 Cl2 N2
• Title of publication: Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization
• Authors of publication: Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 1329 - 1342
• a: 11.4978 ± 0.001 Å
• b: 11.519 ± 0.0013 Å
• c: 18.4158 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2439 ± 0.4 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1307
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9865
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No