Information card for entry 4020787

Structure parameters

• Formula: C18 H25 N2 O6
• Calculated formula: C18 H25 N2 O6
• SMILES: O=C(O)[C@@H](O)[C@H](O)C(=O)[O-].[nH]1c[nH+]cc1[C@@H]1C[C@H]1C#CCCC(C)(C)C
• Title of publication: An Efficient Multigram Synthesis of the Potent Histamine H~3~ Antagonist GT-2331 and the Reassessment of the Absolute Configuration
• Authors of publication: Huaqing Liu; Francis A. Kerdesky; Lawrence A. Black; Michael Fitzgerald; Rodger Henry; Timothy A. Esbenshade; Arthur A. Hancock; Youssef L. Bennani
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 192 - 194
• a: 7.1376 ± 0.0009 Å
• b: 7.597 ± 0.001 Å
• c: 36.333 ± 0.005 Å
• α: 90 ± 0.002°
• β: 90 ± 0.002°
• γ: 90 ± 0.002°
• Cell volume: 1970.2 ± 0.4 ų
• Cell temperature: 183.2 K
• Ambient diffraction temperature: 183.2 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No