Information card for entry 4513654

Structure parameters

• Formula: C60 H38 N4
• Calculated formula: C60 H38 N4
• SMILES: c12=C(c3ccc(C(=c4ccc(n4)C(=c4[nH]c(=C(c(n2)cc1)c1ccc2ccccc2c1)cc4)c1ccc2c(c1)cccc2)c1ccc2ccccc2c1)[nH]3)c1ccc2c(c1)cccc2
• Title of publication: Water Dispersible and Biocompatible Porphyrin-Based Nanospheres for Biophotonics Applications: A Novel Surfactant and Polyelectrolyte-Based Fabrication Strategy for Modifying Hydrophobic Porphyrins.
• Authors of publication: Sheng, Ning; Zong, Shenfei; Cao, Wei; Jiang, Jianzhuang; Wang, Zhuyuan; Cui, Yiping
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2015
• Journal volume: 7
• Journal issue: 35
• Pages of publication: 19718 - 19725
• a: 14.3503 ± 0.0007 Å
• b: 9.2413 ± 0.0004 Å
• c: 20.0339 ± 0.0015 Å
• α: 90°
• β: 107.231 ± 0.006°
• γ: 90°
• Cell volume: 2537.6 ± 0.3 ų
• Cell temperature: 150 ± 0.14 K
• Ambient diffraction temperature: 150 ± 0.14 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2081
• Residual factor for significantly intense reflections: 0.1498
• Weighted residual factors for significantly intense reflections: 0.3862
• Weighted residual factors for all reflections included in the refinement: 0.427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No