Information card for entry 7218028

Structure parameters

• Formula: C41 H35 Cl3 N5 O5 S
• Calculated formula: C41 H35 Cl3 N5 O5 S
• SMILES: S1(=O)(=O)N=C([O-])c2c1cccc2.ClC(Cl)Cl.O=C(c1ccccc1c1ccc(Cn2c3cc(c4n(c5ccccc5[nH+]4)C)cc(c3nc2CCC)C)cc1)O
• Title of publication: Cocrystals of telmisartan: characterization, structure elucidation, in vivo and toxicity studies
• Authors of publication: Chadha, Renu; Bhandari, Swati; Haneef, Jamshed; Khullar, Sadhika; Mandal, Sanjay
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 36
• Pages of publication: 8375
• a: 37.8858 ± 0.0015 Å
• b: 13.3212 ± 0.0006 Å
• c: 15.7766 ± 0.0006 Å
• α: 90°
• β: 101.541 ± 0.002°
• γ: 90°
• Cell volume: 7801.2 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.178
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7216776
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No