Information card for entry 7240106

Structure parameters

• Formula: C2.59 H2.52 N0.15 O0.15
• Calculated formula: C2.59259 H2.51852 N0.148148 O0.148148
• Title of publication: Three-component reaction of azulene, aryl glyoxal and 1,3-dicarbonyl compound for the synthesis of various azulene derivatives
• Authors of publication: Gong, Jing; Peshkov, Anatoly A.; Yu, Jiafeng; Amandykova, Sagadat; Gimnkhan, Aidana; Huang, Jianjun; Kashtanov, Stepan; Pereshivko, Olga P.; Peshkov, Vsevolod A.
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 17
• Pages of publication: 10113 - 10117
• a: 10.9118 ± 0.0006 Å
• b: 11.6167 ± 0.0006 Å
• c: 13.1533 ± 0.0007 Å
• α: 114.9 ± 0.002°
• β: 109.637 ± 0.002°
• γ: 96.01 ± 0.002°
• Cell volume: 1363.93 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No