Information card for entry 7064314

Structure parameters

• Formula: C26 H22 N6 O2 Zn
• Calculated formula: C26 H22 N6 O2 Zn
• Title of publication: Synthesis and characterization of 5,15-bis(hydroxymethyl)porphyrins – simple compounds distantly inspired by the chlorosomal bacteriochlorophylls
• Authors of publication: Tran, Vy-Phuong; Kundu, Arup; Scott, Madelyn N.; Iwanicki, Ainsley; Nalaoh, Phattananawee; Diers, James R.; Taniguchi, Masahiko; Bocian, David F.; Schlau-Cohen, Gabriela S.; Lindsey, Jonathan S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 1990 - 2004
• a: 9.5829 ± 0.0005 Å
• b: 9.6101 ± 0.0005 Å
• c: 12.9002 ± 0.0008 Å
• α: 90°
• β: 110.305 ± 0.002°
• γ: 90°
• Cell volume: 1114.19 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0352
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No