Information card for entry 4101244

Structure parameters

• Common name: 0.5PA-MR
• Formula: C19 H18 N3 O4
• Calculated formula: C19 H18 N3 O4
• Title of publication: 'What is syncrystallization? States of the pH indicator methyl red in crystals of phthalic acid'
• Authors of publication: Jason B. Benedict; Dawn E. Cohen; Scott Lovell; Andrew L. Rohl; Bart Kahr
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 9.083 ± 0.0005 Å
• b: 14.185 ± 0.0007 Å
• c: 26.653 ± 0.002 Å
• α: 90 ± 0°
• β: 98.042 ± 0.004°
• γ: 90 ± 0°
• Cell volume: 3400.3 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No