Information card for entry 4024445

Structure parameters

• Formula: C18 H26 N2
• Calculated formula: C18 H26 N2
• SMILES: [nH]1c(c(c(c1C(=C)c1[nH]c(c(c1C)CC)C)C)CC)C
• Title of publication: Formation of Vinylic Dipyrroles by the Deprotonation of meso-Alkyl and meso-Benzyl Dipyrrin HCl Salts
• Authors of publication: Adeeb Al-Sheikh Ali; Judy Cipot-Wechsler; T. Stanley Cameron; Alison Thompson
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 2866 - 2869
• a: 11.8033 ± 0.0019 Å
• b: 11.8091 ± 0.0015 Å
• c: 12.196 ± 0.003 Å
• α: 95.133 ± 0.01°
• β: 99.094 ± 0.016°
• γ: 92.299 ± 0.007°
• Cell volume: 1669.3 ± 0.5 ų
• Cell temperature: 293.1 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 significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No