Information card for entry 7104319

Structure parameters

• Formula: C38 H44 Br N3 O4
• Calculated formula: C38 H44 Br0.989 N3 O4
• Title of publication: Fluorescent chemosensor for reactive organohalides in micellar solution with an example of autocatalysis.
• Authors of publication: Lee, Jung-Jae; Smith, Bradley D
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 15
• Pages of publication: 1962 - 1963
• a: 9.2525 ± 0.0002 Å
• b: 12.9343 ± 0.0003 Å
• c: 14.9171 ± 0.0004 Å
• α: 89.0162 ± 0.0016°
• β: 74.448 ± 0.0015°
• γ: 76.6934 ± 0.0015°
• Cell volume: 1671.77 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No