Information card for entry 4023695

Structure parameters

• Formula: C44 H58 N7 O4.5
• Calculated formula: C44 H58 N7 O4.5
• Title of publication: Phenanthroline Unit as a Building Block for Carbohydrate Receptors
• Authors of publication: Monika Mazik; Andrè Hartmann
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 7444 - 7450
• a: 8.5389 ± 0.0009 Å
• b: 11.0794 ± 0.0012 Å
• c: 22.4 ± 0.003 Å
• α: 78.454 ± 0.004°
• β: 81.613 ± 0.005°
• γ: 86.883 ± 0.004°
• Cell volume: 2053.4 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.096
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No