Information card for entry 7121522

Structure parameters

• Formula: C10 H9 N2
• Calculated formula: C10 H9 N2
• 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: 9.8253 ± 0.0008 Å
• b: 6.718 ± 0.0005 Å
• c: 13.1473 ± 0.0012 Å
• α: 90°
• β: 110.128 ± 0.008°
• γ: 90°
• Cell volume: 814.81 ± 0.12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No