Information card for entry 1555199

Structure parameters

• Formula: C23 H18 N2 O2
• Calculated formula: C23 H18 N2 O2
• Title of publication: Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part
• Authors of publication: Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 21
• Pages of publication: 3649
• a: 28.7181 ± 0.0008 Å
• b: 16.094 ± 0.0004 Å
• c: 7.4702 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3452.65 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.98 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No