Information card for entry 4504241

Structure parameters

• Formula: C30 H27 N2 O P
• Calculated formula: C30 H27 N2 O P
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)c1ccccc1.c1(c2ccc(N)cc2)ccc(cc1)N
• 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: 11.074 ± 0.002 Å
• b: 18.891 ± 0.003 Å
• c: 12.097 ± 0.002 Å
• α: 90°
• β: 103.069 ± 0.005°
• γ: 90°
• Cell volume: 2465.1 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No