Information card for entry 7119867

Structure parameters

• Chemical name: 3,5-di-tert-butyl-2',3'-dimethylspiro[cyclohexane-1,5'-imidazo[2,1-a]isoindole]-2,5-dien-4-one
• Formula: C25 H30 N2 O
• Calculated formula: C25 H30 N2 O
• SMILES: n12C3(C=C(C(C)(C)C)C(=O)C(=C3)C(C)(C)C)c3c(c1nc(c2C)C)cccc3
• Title of publication: Highly durable photochromic radical complexes having no steric protections of radicals.
• Authors of publication: Kobayashi, Yoichi; Mishima, Yasuhiro; Mutoh, Katsuya; Abe, Jiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 31
• Pages of publication: 4315 - 4318
• a: 9.2185 ± 0.0009 Å
• b: 9.7237 ± 0.0009 Å
• c: 12.7331 ± 0.0012 Å
• α: 83.1537 ± 0.0013°
• β: 71.5734 ± 0.0013°
• γ: 86.3277 ± 0.0012°
• Cell volume: 1074.71 ± 0.18 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0457
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No