Information card for entry 4029925

Structure parameters

• Formula: C30 H21 N3
• Calculated formula: C30 H21 N3
• Title of publication: Synthesis of a Class of Core-Modified Aza-BODIPY Derivatives.
• Authors of publication: Díaz-Moscoso, Alejandro; Emond, Edward; Hughes, David L.; Tizzard, Graham J.; Coles, Simon J.; Cammidge, Andrew N.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 18
• Pages of publication: 8932 - 8936
• a: 6.3207 ± 0.0002 Å
• b: 15.0052 ± 0.0005 Å
• c: 22.6397 ± 0.0007 Å
• α: 93.288 ± 0.003°
• β: 93.164 ± 0.003°
• γ: 90.947 ± 0.003°
• Cell volume: 2140.01 ± 0.12 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No