Information card for entry 8100179

Structure parameters

• Formula: C18 H26 N2 O10
• Calculated formula: C18 H26 N2 O10
• SMILES: O=C1N(Cc2ccccc2)C(=O)[C@H]2CCC[NH2+][C@@H]12.[O-]C(=O)[C@H](O)[C@@H](O)C(=O)O.O.O
• Title of publication: Crystal structure of (1S,6S)-8-benzyl-7,9-dioxo-8-aza-2-azoniabicyclo [4,3,0]-nonane (2S,3S)-(-)-hydrogen tartrate dihydrate, (C~4~H~5~N~2~O~10~) (C~14~H~17~O~2~) · 2H~2~O, a chiral inclusion
• Authors of publication: Chen, Fan; Hu, Mao-Lin; Wang, Shun; Wu, Hua-Yue
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 4
• Pages of publication: 417 - 418
• a: 7.0751 ± 0.0006 Å
• b: 11.3427 ± 0.0008 Å
• c: 26.268 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2108 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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