Information card for entry 4112056

Structure parameters

• Formula: C24 H16 N2 O4.5
• Calculated formula: C24 H16 N2 O4.5
• Title of publication: Octasubstituted Metal-Free Phthalocyanine as Core of Phosphorus Dendrimers: A Probe for the Properties of the Internal Structure
• Authors of publication: Julien Leclaire; Rodolphe Dagiral; Suzanne Fery-Forgues; Yannick Coppel; Bruno Donnadieu; Anne-Marie Caminade; Jean-Pierre Majoral
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 15762 - 15770
• a: 7.9113 ± 0.001 Å
• b: 10.7582 ± 0.0016 Å
• c: 13.113 ± 0.002 Å
• α: 83.553 ± 0.018°
• β: 79.032 ± 0.017°
• γ: 80.968 ± 0.016°
• Cell volume: 1078.2 ± 0.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0961
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No