Information card for entry 1503278

Structure parameters

• Formula: C9.5 H14 N3
• Calculated formula: C9.5 H9.5 N3
• 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: 10.477 ± 0.0016 Å
• b: 10.477 ± 0.0016 Å
• c: 15.328 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1457.1 ± 0.4 ų
• Cell temperature: 200.1 K
• Ambient diffraction temperature: 200.1 K
• Number of distinct elements: 3
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.2081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No