Information card for entry 8101450

Structure parameters

• Formula: C15 H23 N O
• Calculated formula: C15 H23 N O
• SMILES: N([C@H]([C@H](CC)C=O)c1ccccc1)(CC)CC
• Title of publication: Crystal structure of anti-3-(N,N-diethylamino)-2-ethyl-3-phenylpropanale, C~15~H~23~NO
• Authors of publication: Frenzen, Gerlinde; Tomm, Sabine; Frauenrath, Herbert
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 1
• Pages of publication: 127 - 128
• a: 8.565 ± 0.003 Å
• b: 8.92 ± 0.003 Å
• c: 18.612 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1422 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.1526
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No