Information card for entry 2204876

Structure parameters

• Chemical name: N-(4-ferrocenylphenyl)-4-piperidino-1,8-naphthalimide
• Formula: C33 H28 Fe N2 O2
• Calculated formula: C33 H28 Fe N2 O2
• SMILES: c12ccc(N3CCCCC3)c3cccc(c13)C(=O)N(C2=O)c1ccc(cc1)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12
• Title of publication: <i>N</i>-(4-Ferrocenylphenyl)-4-piperidino-1,8-naphthalimide
• Authors of publication: McAdam, C. John; Robinson, Brian H.; Simpson, Jim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m110 - m112
• a: 9.238 ± 0.008 Å
• b: 11.112 ± 0.011 Å
• c: 12.164 ± 0.012 Å
• α: 93.904 ± 0.014°
• β: 100.206 ± 0.013°
• γ: 104.154 ± 0.015°
• Cell volume: 1183.5 ± 1.9 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes