Information card for entry 7121523

Structure parameters

• Formula: C17 H18 N2 O
• Calculated formula: C17 H18 N2 O
• Title of publication: Bioinspired synthesis of pentalene-based chromophores from an oligoketone chain.
• Authors of publication: Saito, Yuki; Higuchi, Masayuki; Yoshioka, Shota; Senboku, Hisanori; Inokuma, Yasuhide
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 50
• Pages of publication: 6788 - 6791
• a: 12.1379 ± 0.0009 Å
• b: 7.1688 ± 0.0005 Å
• c: 16.6494 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1448.73 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0399
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No