Information card for entry 7213156

Structure parameters

• Formula: C7 H10 N2 O2
• Calculated formula: C7 H10 N2 O2
• 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: 7.19 ± 0.008 Å
• b: 8.08 ± 0.004 Å
• c: 12.279 ± 0.012 Å
• α: 90°
• β: 102.4 ± 0.09°
• γ: 90°
• Cell volume: 696.7 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2322
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.181
• Weighted residual factors for all reflections included in the refinement: 0.2392
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No