Information card for entry 7216423

Structure parameters

• Formula: C29 H44 N5 O11.5
• Calculated formula: C29 H44 N5 O11.5
• SMILES: O.O(C(C)(C)C)C(=O)N[C@H](C(=O)Nc1cc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C)cc(C(=O)N[C@H](C(=O)OC)CC(=O)OC)c1)C
• Title of publication: Photoelectrochemical properties of CdSe quantum dots doped disk-like tripeptide capsule
• Authors of publication: Bera, Santu; Maity, Suman Kumar; Haldar, Debasish
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 22
• Pages of publication: 4834
• a: 11.6087 ± 0.0013 Å
• b: 21.608 ± 0.003 Å
• c: 14.0422 ± 0.0016 Å
• α: 90°
• β: 105.152 ± 0.002°
• γ: 90°
• Cell volume: 3399.9 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No