Information card for entry 1100370

Structure parameters

• Formula: C14 H9 D N2 O4
• Calculated formula: C14 H9 D N2 O4
• Title of publication: Proton-Transfer-Dependent Reversible Phase Changes in the 4,4'-Bipyridinium Salt of Squaric Acid
• Authors of publication: Reetz, Manfred T.; Höger, Sigurd; Harms, Klaus
• Journal of publication: Angewandte Chemie, International Edition in English
• Year of publication: 1994
• Journal volume: 33
• Journal issue: 2
• Pages of publication: 181 - 183
• a: 3.793 ± 0.001 Å
• b: 11.175 ± 0.001 Å
• c: 27.581 ± 0.004 Å
• α: 90°
• β: 91.99 ± 0.01°
• γ: 90°
• Cell volume: 1168.36 ų
• Number of distinct elements: 5
• 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: No
• Has Fobs: No