Information card for entry 2211641

Structure parameters

• Chemical name: Bis(1,2-dihydroxybenzene) hexamethylenetetramine
• Formula: C18 H24 N4 O4
• Calculated formula: C18 H24 N4 O4
• Title of publication: Bis(1,2-dihydroxybenzene) hexamethylenetetramine
• Authors of publication: Daka, Philias; Wheeler, Kraig A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5477 - o5479
• a: 23.794 ± 0.002 Å
• b: 6.8422 ± 0.0005 Å
• c: 13.244 ± 0.001 Å
• α: 90°
• β: 123.135 ± 0.006°
• γ: 90°
• Cell volume: 1805.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes