Information card for entry 7152387

Structure parameters

• Formula: C41 H32 N4
• Calculated formula: C41 H32 N4
• SMILES: c1c(C(c2c3n(c(n2)c2ccc(cc2)C)cccc3)(c2ccccc2)c2c3n(c(n2)c2ccc(cc2)C)cccc3)cccc1
• Title of publication: Imidazo[1,5-a]pyridine-1-ylalkylalcohols: synthesis via intramolecular cyclization of N-thioacyl 1,2-aminoalcohols and their silyl ethers and molecular structures.
• Authors of publication: Murai, Toshiaki; Nagaya, Eri; Shibahara, Fumitoshi; Maruyama, Toshifumi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 25
• Pages of publication: 4943 - 4953
• a: 22.232 ± 0.018 Å
• b: 10.636 ± 0.007 Å
• c: 17.824 ± 0.014 Å
• α: 90°
• β: 133.986 ± 0.007°
• γ: 90°
• Cell volume: 3032 ± 4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1551
• Residual factor for significantly intense reflections: 0.1049
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.2078
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No