Information card for entry 7116961

Structure parameters

• Formula: C42 H46 N4 O13 S3
• Calculated formula: C42 H44 N4 O13 S3
• Title of publication: A fluorescent Arg-Gly-Asp (RGD) peptide-naphthalenediimide (NDI) conjugate for imaging integrin alpha-v-beta3in vitro
• Authors of publication: Zhiyuan Hu; Rory L. Arrowsmith; James A. Tyson; Vincenzo Mirabello; Haobo Ge; Ian M. Eggleston; Stanley W. Botchway; G. Dan Pantos; Sofia I. Pascu
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 6901
• a: 8.6884 ± 0.0008 Å
• b: 19.6749 ± 0.0018 Å
• c: 25.149 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4299.1 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1203
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1079
• Diffraction radiation wavelength: 0.6904 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No