Information card for entry 4075461

Structure parameters

• Formula: C37 H43 N2 O P S
• Calculated formula: C37 H43 N2 O P S
• SMILES: S=P1(C2=C3CCCC3=C1C(c1[nH]c(C(c3oc(C(c4[nH]c(C2(C)C)cc4)(C)C)cc3)(C)C)cc1)(C)C)c1ccccc1
• Title of publication: Phosphole-Containing Hybrid Calixpyrroles: New Multifunctional Macrocyclic Ligands for Platinum(II) Ions
• Authors of publication: Matano, Yoshihiro; Nakabuchi, Takashi; Miyajima, Tooru; Imahori, Hiroshi
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 13
• Pages of publication: 3105
• a: 11.2995 ± 0.0014 Å
• b: 16.673 ± 0.002 Å
• c: 18.066 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3403.6 ± 0.7 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No