Information card for entry 4065641

Structure parameters

• Chemical name: 4-ethynyl-4'-(4-ethynyl-N-methyl-1,8-naphthalimide)biphenyl
• Formula: C29 H17 N O2
• Calculated formula: C29 H17 N O2
• SMILES: CN1C(=O)c2ccc(c3cccc(C1=O)c23)C#Cc1ccc(cc1)c1ccc(cc1)C#C
• Title of publication: Ferrocenyl−Naphthalimide Donor−Acceptor Dyads with Aromatic Spacer Groups
• Authors of publication: McAdam, C. John; Robinson, Brian H.; Simpson, Jim; Tagg, Tei
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 11
• Pages of publication: 2474
• a: 9.5527 ± 0.0002 Å
• b: 18.179 ± 0.0004 Å
• c: 23.3617 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4056.96 ± 0.14 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No