Information card for entry 8100064

Structure parameters

• Formula: C14 H11 N O6
• Calculated formula: C14 H11 N O6
• Title of publication: Crystal structure of dimethyl (Z)-2(1,3-dioxo-1,3-di-hydro-2H-isoindol- 2-yl)-2-butenedioate, C~14~H~11~NO~6~
• Authors of publication: Ramazani, Ali; Marandi, Farzin; Ahmadi, Ebrahim; Morsali, Ali
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 2
• Pages of publication: 179 - 180
• a: 8.0682 ± 0.0016 Å
• b: 9.6792 ± 0.0019 Å
• c: 16.961 ± 0.003 Å
• α: 90°
• β: 101.69 ± 0.03°
• γ: 90°
• Cell volume: 1297.1 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No