Information card for entry 7213157

Structure parameters

• Formula: C24 H32 N4 O3
• Calculated formula: C24 H30 N4 O2.5
• Title of publication: cis-Diprotected cyclams and cyclens: a new route to symmetrically or asymmetrically 1,4-disubstituted tetraazamacrocycles and to asymmetrically tetrasubstituted derivatives
• Authors of publication: Bellouard, Frédéric; Chuburu, Françoise; Kervarec, Nelly; Toupet, Loïc; Triki, Smaïl; Le Mest, Yves; Handel, Henri
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 1999
• Journal issue: 23
• Pages of publication: 3499
• a: 13.465 ± 0.003 Å
• b: 12.608 ± 0.004 Å
• c: 14.504 ± 0.003 Å
• α: 90°
• β: 116.85 ± 0.03°
• γ: 90°
• Cell volume: 2196.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No