Information card for entry 7242789

Structure parameters

• Formula: C40 H30 N6 O8
• Calculated formula: C40 H30 N6 O8
• Title of publication: A two-component molecular hybrid with enhanced emission characteristics and mechanoresponsive luminescence properties
• Authors of publication: Liu, Jian-Jun; Xia, Shu-Biao; Liu, Teng; Liu, Jia-Ming; Cheng, Fei-Xiang
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 24
• Pages of publication: 4320 - 4326
• a: 6.428 ± 0.005 Å
• b: 10.302 ± 0.008 Å
• c: 25.248 ± 0.019 Å
• α: 90°
• β: 89.053 ± 0.015°
• γ: 90°
• Cell volume: 1672 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1253
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.2318
• Weighted residual factors for all reflections included in the refinement: 0.2924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No