Information card for entry 7213314

Structure parameters

• Chemical name: Quadricyclaue with carboxamide-TEMPO
• Formula: C17 H25 N2 O2
• Calculated formula: C17 H25 N2 O2
• Title of publication: Novel photo-responsive organic spin systems: preparation and properties of norbornadienes and spiropyrans with TEMPO radical substituents
• Authors of publication: Nakatsuji, Shin’ichi; Ogawa, Yuya; Takeuchi, Soichi; Akutsu, Hiroki; Yamada, Jun-ichi; Naito, Akira; Sudo, Kyoko; Yasuoka, Noritake
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2000
• Journal issue: 9
• Pages of publication: 1969
• a: 7.5297 ± 0.0003 Å
• b: 22.131 ± 0.003 Å
• c: 9.9543 ± 0.0006 Å
• α: 90°
• β: 105.622 ± 0.002°
• γ: 90°
• Cell volume: 1597.5 ± 0.2 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0889
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.826
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No