Information card for entry 7222299

Structure parameters

• Formula: C15 H26 N4 O2
• Calculated formula: C15 H26 N4 O2
• SMILES: C1(=O)[C@@H](CN2CCN3CCN4CCN1[C@@]2([C@@]34C)C)CCO.C1(=O)[C@H](CN2CCN3CCN4CCN1[C@]2([C@]34C)C)CCO
• Title of publication: A [Two-Steps / One Week] Synthesis of C-Functionalized Homocyclens and Cyclams. Application to the Preparation of Conjugable BCAs without Chelating Properties Alteration
• Authors of publication: Camus, Nathalie; Halme, Zakaria; Nathalie, Le Bris; Bernard, Hélène; Beyler, Maryline; Platas-Iglesias, Carlos; Tripier, Raphael
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 11.7908 ± 0.0008 Å
• b: 10.4516 ± 0.0008 Å
• c: 12.3326 ± 0.0008 Å
• α: 90°
• β: 97.971 ± 0.006°
• γ: 90°
• Cell volume: 1505.1 ± 0.18 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 0.805
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No