Information card for entry 7111214

Structure parameters

• Common name: 11
• Chemical name: 7-amido- 2,3,7,12,13,17,18,10^3^-octaethyl-benzochlorin
• Formula: C40 H49 N5 O
• Calculated formula: C40 H49 N5 O
• Title of publication: A novel synthetic route to fused propenochlorin and benzochlorin photodynamic therapy probes
• Authors of publication: Li, Guolin; Mehta, Ricky; Srikrishnan, Thamarapu; Nurco, Daniel J.; Tabaczynski, Walter A.; Alderfer, James L.; Smith, Kevin M.; Dougherty, Thomas J.; Pandey, Ravindra K.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 11
• Pages of publication: 1172
• a: 19.084 ± 0.004 Å
• b: 27.306 ± 0.006 Å
• c: 15.113 ± 0.003 Å
• α: 90°
• β: 116.21 ± 0.03°
• γ: 90°
• Cell volume: 7066 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2245
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.2428
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No