Information card for entry 7126833

Structure parameters

• Formula: C37 H43 N5 O3
• Calculated formula: C37 H42.5 N5 O3
• SMILES: O1c2cc(NCC)c(cc2C2(N(/N=C/c3ccc(N(CC)CC)cc3)C(=O)c3c2cccc3)c2cc(c(NCC)cc12)C)C.O
• Title of publication: Selective DCP detection with xanthene derivatives by carbonyl phosphorylation.
• Authors of publication: Behera, Kanhu Charan; Bag, Bamaprasad
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 65
• Pages of publication: 9308 - 9311
• a: 9.309 ± 0.002 Å
• b: 14.055 ± 0.003 Å
• c: 25.6 ± 0.006 Å
• α: 90°
• β: 95.731 ± 0.005°
• γ: 90°
• Cell volume: 3332.7 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0758
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No