Information card for entry 7207552

Structure parameters

• Common name: 2(Phenazine)(4-Aminobenzoic acid)
• Chemical name: Phenazine 4-Aminobenzoic acid (2/1)
• Formula: C31 H23 N5 O2
• Calculated formula: C31 H23 N5 O2
• SMILES: c1(C(=O)O)ccc(N)cc1.c1cccc2nc3ccccc3nc12.c1cccc2nc3ccccc3nc12
• Title of publication: Screening for cocrystals of succinic acid and 4-aminobenzoic acid
• Authors of publication: Issa, Nizar; Barnett, Sarah A.; Mohamed, Sharmarke; Braun, Doris E.; Copley, Royston C. B.; Tocher, Derek A.; Price, Sarah L.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 2454
• a: 15.557 ± 0.002 Å
• b: 17.056 ± 0.003 Å
• c: 19.782 ± 0.003 Å
• α: 80.658 ± 0.005°
• β: 78.559 ± 0.007°
• γ: 77.168 ± 0.006°
• Cell volume: 4977.6 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1999
• Weighted residual factors for all reflections included in the refinement: 0.2304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No