Information card for entry 4028698

Structure parameters

• Formula: C54 H50 N4 O3
• Calculated formula: C54 H50 N4 O3
• Title of publication: Near-IR Emissive Chlorin-Bacteriochlorin Energy-Transfer Dyads with a Common Donor and Acceptors with Tunable Emission Wavelength
• Authors of publication: Zhanqian Yu; Marcin Ptaszek
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 10678 - 10691
• a: 12.2436 ± 0.0004 Å
• b: 14.2193 ± 0.0004 Å
• c: 14.3945 ± 0.0004 Å
• α: 86.147 ± 0.002°
• β: 66.914 ± 0.003°
• γ: 69.377 ± 0.003°
• Cell volume: 2150.27 ± 0.13 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No