Information card for entry 1556207

Structure parameters

• Formula: C26 H25 N3 O3
• Calculated formula: C26 H25 N3 O3
• SMILES: O=c1oc2c3CCCN4CCCc(c34)cc2c(NCCc2c3ccccc3[nH]c2)c1C=O
• Title of publication: Pattern-based sensing of peptides and aminoglycosides with a single molecular probe.
• Authors of publication: Lee, Boram; Chen, Shiyu; Heinis, Christian; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 13
• Pages of publication: 3456 - 3459
• a: 7.5683 ± 0.0007 Å
• b: 11.9057 ± 0.0016 Å
• c: 14.1137 ± 0.0018 Å
• α: 102.206 ± 0.011°
• β: 101.521 ± 0.01°
• γ: 92.584 ± 0.008°
• Cell volume: 1212.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No