Information card for entry 4021234

Structure parameters

• Formula: C100.5 H117 N4 O4.5
• Calculated formula: C100.5 H112.5 N4 O4.5
• Title of publication: Highly Nonplanar, Electron Deficient, N-Substituted tetra-Oxocyclohexadienylidene Porphyrinogens: Structural, Computational, and Electrochemical Investigations
• Authors of publication: Jonathan P. Hill; Ian J. Hewitt; Christopher E. Anson; Annie K. Powell; Amy Lea McCarty; Paul A. Karr; Melvin E. Zandler; Francis D'Souza
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 5861 - 5869
• a: 23.275 ± 0.002 Å
• b: 18.33 ± 0.002 Å
• c: 22.8247 ± 0.0018 Å
• α: 90°
• β: 116.592 ± 0.006°
• γ: 90°
• Cell volume: 8707.8 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No