Information card for entry 8100137

Structure parameters

• Common name: N-Acetyl-D-2-(1,4-cyclohxadienyl)glycine ethyl ester
• Formula: C12 H17 N O3
• Calculated formula: C12 H17 N O3
• SMILES: O=C(N[C@H](C1=CCC=CC1)C(=O)OCC)C
• Title of publication: Crystal structure of N-acetyl-D-2-(1,4-cyclohexadienyl)glycine ethyl ester, C~12~H~17~NO~3~
• Authors of publication: Dialer, Harald; Nöth, Heinrich; Seifert, Thomas; Beck, Wolfgang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 3
• Pages of publication: 309 - 310
• a: 4.953 ± 0.0001 Å
• b: 9.0831 ± 0.0002 Å
• c: 26.4657 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1190.65 ± 0.04 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No