Information card for entry 2007145

Structure parameters

• Common name: 3',3''-dinitrophenolphthalein
• Formula: C20 H12 N2 O8
• Calculated formula: C20 H12 N2 O8
• 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: 27.634 ± 0.002 Å
• b: 8.122 ± 0.004 Å
• c: 15.741 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3533 ± 1.9 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No