Information card for entry 4134969

Structure parameters

• Formula: C33 H21 N3 O
• Calculated formula: C33 H21 N3 O
• Title of publication: Photochromic Radical Complexes That Show Heterolytic Bond Dissociation.
• Authors of publication: Usui, Ryosuke; Yamamoto, Katsuya; Okajima, Hajime; Mutoh, Katsuya; Sakamoto, Akira; Abe, Jiro; Kobayashi, Yoichi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 22
• Pages of publication: 10132 - 10142
• a: 6.8256 ± 0.0004 Å
• b: 12.4886 ± 0.0008 Å
• c: 14.5776 ± 0.0009 Å
• α: 92.607 ± 0.005°
• β: 93.237 ± 0.005°
• γ: 105.501 ± 0.005°
• Cell volume: 1193.14 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0808
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No