Information card for entry 7225564

Structure parameters

• Formula: C26 H33 N6 O6
• Calculated formula: C26 H33 N3 O6
• SMILES: O=C(NCC(=O)N[C@H](C(=O)OC)Cc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)Cc1ccccc1
• Title of publication: Photo-responsive modulation of hybrid peptide assembly, charge transfer complex formation and gelation
• Authors of publication: HALDAR, DEBASISH; Maji, Krishnendu; Pramanik, Apurba; Paikar, Arpita
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 34.468 ± 0.006 Å
• b: 5.0526 ± 0.0007 Å
• c: 15.304 ± 0.002 Å
• α: 90°
• β: 95.071 ± 0.015°
• γ: 90°
• Cell volume: 2654.8 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1396
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No