Information card for entry 4021097

Structure parameters

• Formula: C32 H34 N5 O2
• Calculated formula: C32 H34 N5 O2
• SMILES: O=N(=O)c1cc(C2=C3[NH+]=C(C(c4[nH]c(C(c5[nH]c(C(c6[nH]c2cc6)(C)C)cc5)(C)C)cc4)(C)C)C=C3)ccc1
• Title of publication: Synthesis of Functionalmeso-Aryl Porphomonomethenes and Porphodimethenes: Application to the Preparation of a Chiral Calix[4]phyrin Dimer
• Authors of publication: Bernátková, Markéta; Andrioletti, Bruno; Král, Vladimír; Rose, Eric; Vaissermann, Jacqueline
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Journal issue: 23
• Pages of publication: 8140 - 8143
• a: 10.318 ± 0.003 Å
• b: 11.071 ± 0.002 Å
• c: 13.31 ± 0.003 Å
• α: 93.1 ± 0.02°
• β: 100.37 ± 0.02°
• γ: 113.81 ± 0.02°
• Cell volume: 1354.7 ± 0.6 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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 significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.0665
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No