Information card for entry 7234683

Structure parameters

• Formula: C82 H63 N7 O8.5 P3
• Calculated formula: C82 H62 N7 O8.5 P3
• SMILES: P1(=NP2(=NP3(=N1)Oc1ccccc1c1c(O3)cccc1)Oc1c(c3c(O2)cccc3)cccc1)(Oc1ccc(c2c(n(c3ccccc3)nc2c2ccccc2)c2ccccc2)cc1)Oc1ccc(c2c(n(c3ccccc3)nc2c2ccccc2)c2ccccc2)cc1.O(C(=O)C)CC.O
• Title of publication: Synthesis, characterization and aggregation induced enhanced emission properties of tetraaryl pyrazole decorated cyclophosphazenes
• Authors of publication: Vanga Mukundam; Kunchala Dhanunjayarao; Ramesh Mamidala; Krishnan Venkatasubbaiah
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 3523 - 3530
• a: 12.6054 ± 0.0003 Å
• b: 17.2285 ± 0.0004 Å
• c: 18.9581 ± 0.0005 Å
• α: 64.294 ± 0.001°
• β: 89.501 ± 0.001°
• γ: 80.523 ± 0.001°
• Cell volume: 3649.95 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.2206
• Weighted residual factors for all reflections included in the refinement: 0.262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No