Information card for entry 7204011

Structure parameters

• Formula: C50 H62 O10 V
• Calculated formula: C50 H62 O10 V
• SMILES: [V]12([O]=C(c3c(O)cccc3)C=C(O1)c1ccc(OCCCCCCCC)cc1)([O]=C(c1c(O)cccc1)C=C(O2)c1ccc(OCCCCCCCC)cc1)(=O)[O]1CCCC1
• Title of publication: Columnar metallomesogens: vanadyl complexes derived from β,δ-triketones
• Authors of publication: Lin, Raymond; Tsai, Chun-Hsien; Chao, Man-Qian; Lai, Chung K.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 359
• a: 14.6581 ± 0.0001 Å
• b: 14.5933 ± 0.0002 Å
• c: 21.7985 ± 0.0001 Å
• α: 90°
• β: 100.32 ± 0.001°
• γ: 90°
• Cell volume: 4587.48 ± 0.07 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1308
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections: 0.1589
• Weighted residual factors for significantly intense reflections: 0.1377
• Goodness-of-fit parameter for all reflections: 1.041
• Goodness-of-fit parameter for significantly intense reflections: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No