Information card for entry 7106709

Structure parameters

• Formula: C43 H29 N5 O
• Calculated formula: C43.0006 H29.0006 N5.0006 O1.0006
• Title of publication: Porpholactams and chlorolactams: Replacement of a b,b'-double bond in meso-tetraphenyl-porphyrin and -chlorin by a lactam moiety
• Authors of publication: Joshua Akhigbe; John Haskoor; Matthias Zeller; Christian Bruckner
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 8599
• a: 6.3503 ± 0.0015 Å
• b: 10.384 ± 0.003 Å
• c: 12.353 ± 0.003 Å
• α: 94.72 ± 0.004°
• β: 99.884 ± 0.004°
• γ: 100.532 ± 0.004°
• Cell volume: 783.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No