Information card for entry 1503279

Structure parameters

• Formula: C28 H49 Cl2 N7
• Calculated formula: C28 H49 Cl2 N7
• SMILES: ClCCl.[n-]1c(nc2nc(nc3nc(nc1c23)C(C)(C)C)C(C)(C)C)C(C)(C)C.[N+](CC)(CC)(CC)CC
• Title of publication: Hexaazaphenalene derivatives: one-pot synthesis, hydrogen-bonded chiral helix, and fluorescence properties.
• Authors of publication: Suzuki, Shuichi; Fukui, Kozo; Fuyuhiro, Akira; Sato, Kazunobu; Takui, Takeji; Nakasuji, Kazuhiro; Morita, Yasushi
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 21
• Pages of publication: 5036 - 5039
• a: 12.412 ± 0.007 Å
• b: 19.626 ± 0.011 Å
• c: 13.146 ± 0.008 Å
• α: 90°
• β: 106.484 ± 0.006°
• γ: 90°
• Cell volume: 3071 ± 3 ų
• Cell temperature: 200.1 K
• Ambient diffraction temperature: 200.1 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 significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.2281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No