Information card for entry 2011637

Structure parameters

• Chemical name: tris-(2-benzoylamino-ethyl)amine
• Formula: C27 H30 N4 O3
• Calculated formula: C27 H30 N4 O3
• SMILES: O=C(NCCN(CCNC(=O)c1ccccc1)CCNC(=O)c1ccccc1)c1ccccc1
• Title of publication: Tris[2-(benzoylamino)ethyl]amine
• Authors of publication: Goldcamp, Michael J.; Krause Bauer, Jeanette A.; Baldwin, Michael J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: e602 - e603
• a: 10.004 ± 0.002 Å
• b: 17.151 ± 0.004 Å
• c: 14.472 ± 0.003 Å
• α: 90°
• β: 101.06 ± 0.02°
• γ: 90°
• Cell volume: 2437 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.146
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes