Information card for entry 7242373

Structure parameters

• Formula: C27 H33 N O
• Calculated formula: C27 H33 N O
• Title of publication: Actuation performance of a photo-bending crystal modeled by machine learning-based regression
• Authors of publication: Ishizaki, Kazuki; Sugimoto, Ryota; Hagiwara, Yuki; Koshima, Hideko; Taniguchi, Takuya; Asahi, Toru
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 34
• Pages of publication: 5839 - 5847
• a: 6.3282 ± 0.0008 Å
• b: 9.8266 ± 0.0012 Å
• c: 39.383 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2449 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1083
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No