Information card for entry 2204571

Structure parameters

• Chemical name: 1,1,1-Tris[(pyrrol-1-yl)methyl]ethane
• Formula: C17 H21 N3
• Calculated formula: C17 H21 N3
• SMILES: n1(CC(Cn2cccc2)(Cn2cccc2)C)cccc1
• Title of publication: 1,1,1-Tris[(pyrrol-1-yl)methyl]ethane: herring-bone packing of supramolecular assemblies in a homochiral crystal from chemically symmetric molecules
• Authors of publication: Wei Xu; Yin-Xiang Lu; Zhen-Guang Zou; Chun-Ming Liu; Bi-Jian Lan; Hui Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o2171 - o2173
• a: 7.7625 ± 0.0014 Å
• b: 11.2496 ± 0.0019 Å
• c: 17.542 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1531.9 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes