Information card for entry 1529454

Structure parameters

• Common name: NZ-105 free form
• Chemical name: efonidipine
• Formula: C34 H38 N3 O7 P
• Calculated formula: C34 H38 N3 O7 P
• SMILES: c1(cc(ccc1)N(=O)=O)[C@@H]1C(=C(C)NC(=C1P1(=O)OCC(CO1)(C)C)C)C(=O)OCCN(c1ccccc1)Cc1ccccc1
• Title of publication: Developmental considerations for ethanolates with regard to stability and physicochemical characterization of efonidipine hydrochloride ethanolate
• Authors of publication: Otsuka, M.; Maeno, Y.; Fukami, T.; Inoue, M.; Tagami, T.; Ozeki, T.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 38
• Pages of publication: 7430
• a: 9.9296 ± 0.0005 Å
• b: 13.1794 ± 0.0007 Å
• c: 24.2673 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3175.8 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 0.858
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No