Information card for entry 4504239

Structure parameters

• Formula: C30 H28 N4 O2
• Calculated formula: C30 H28 N4 O2
• SMILES: c1(c2ccc(N)cc2)ccc(N)cc1.c1(c2ccc(cc2)N)ccc(N)cc1.O=C1C=CC(=O)C=C1
• Title of publication: Benzidine: A Co-Crystallization Agent for Proton Acceptors
• Authors of publication: Rafilovich, Michal; Bernstein, Joel; Hickey, Magali B.; Tauber, Michael
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 1777
• a: 24.347 ± 0.003 Å
• b: 10.9654 ± 0.0015 Å
• c: 19.683 ± 0.002 Å
• α: 90°
• β: 109.054 ± 0.004°
• γ: 90°
• Cell volume: 4967 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No