Information card for entry 2007144

Structure parameters

• Common name: phenolphthalein
• Formula: C20 H14 O4
• Calculated formula: C20 H14 O4
• SMILES: Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O
• Title of publication: Phenolphthalein and 3',3''-Dinitrophenolphthalein
• Authors of publication: Fitzgerald, Lawrence J.; Gerkin, Roger E.
• Journal of publication: Acta Crystallographica, Section C: Crystal Structure Communications
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 535 - 539
• a: 19.27 ± 0.004 Å
• b: 14.819 ± 0.004 Å
• c: 11.392 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3253.2 ± 1.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No