Information card for entry 1502298

Structure parameters

• Formula: C23 H26 N10 O13
• Calculated formula: C23 H26 N10 O13
• SMILES: C1(=O)[C@H](CCN1C(=O)N)Nc1c(cc(cc1)N(=O)=O)N(=O)=O.CO
• Title of publication: Padanamides A and B, highly modified linear tetrapeptides produced in culture by a Streptomyces sp. isolated from a marine sediment.
• Authors of publication: Williams, David E.; Dalisay, Doralyn S.; Patrick, Brian O.; Matainaho, Teatulohi; Andrusiak, Kerry; Deshpande, Raamesh; Myers, Chad L.; Piotrowski, Jeff S.; Boone, Charles; Yoshida, Minoru; Andersen, Raymond J.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 15
• Pages of publication: 3936 - 3939
• a: 9.7813 ± 0.0005 Å
• b: 7.8382 ± 0.0004 Å
• c: 18.103 ± 0.001 Å
• α: 90°
• β: 90.163 ± 0.004°
• γ: 90°
• Cell volume: 1387.91 ± 0.13 ų
• Cell temperature: 90 ± 0.3 K
• Ambient diffraction temperature: 90 ± 0.1 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: 0.0656
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No