Information card for entry 7056881

Structure parameters

• Chemical name: Bis(2-naphthoxy)phosphorus(V)- tris 5,10,15-(pentafluorophenyl) corrole
• Formula: C57 H22 F15 N4 O2 P
• Calculated formula: C57 H22 F15 N4 O2 P
• SMILES: c12ccc3=C(c4ccc5c6ccc7C(=c8ccc(=C1c1c(c(c(c(c1F)F)F)F)F)n8[P]([n]23)(n45)(n67)(Oc1ccc2ccccc2c1)Oc1ccc2ccccc2c1)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Axially substituted phosphorous(v) corrole with polycyclic aromatic hydrocarbons: syntheses, X-ray structures, and photoinduced energy and electron transfer studies
• Authors of publication: Achary, B. Shivaprasad; Ramya, A. R.; Nanubolu, Jagadeesh Babu; Seetharaman, Sairaman; Lim, Gary N.; Jang, Youngwoo; D’Souza, Francis; Giribabu, Lingamallu
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 10
• Pages of publication: 8230
• a: 22.2 ± 0.0015 Å
• b: 15.2908 ± 0.001 Å
• c: 27.5057 ± 0.0019 Å
• α: 90°
• β: 95.473 ± 0.001°
• γ: 90°
• Cell volume: 9294.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No