Information card for entry 4025298

Structure parameters

• Formula: C18 H14 N4
• Calculated formula: C18 H14 N4
• SMILES: N(=c1ccc2=Nn3c(=Nc2c1)cccc3)c1ccc(cc1)C
• Title of publication: One-Pot Synthesis of Linearly Fused N-Heterocyles from Their Angular Analogues and Studies of Their Redox and Electrochromic Properties
• Authors of publication: Mominul Sinan; Kumaresh Ghosh; Sreebrata Goswami
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 2065 - 2068
• a: 6.882 ± 0.004 Å
• b: 7.4 ± 0.004 Å
• c: 14.123 ± 0.008 Å
• α: 98.66 ± 0.017°
• β: 93.716 ± 0.016°
• γ: 93.664 ± 0.016°
• Cell volume: 707.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1633
• Residual factor for significantly intense reflections: 0.1183
• Weighted residual factors for significantly intense reflections: 0.397
• Weighted residual factors for all reflections included in the refinement: 0.4058
• Goodness-of-fit parameter for all reflections included in the refinement: 2.377
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No