Information card for entry 4020361

Structure parameters

• Common name: 4-(8-Formyl-pyren-1-yl)-benzonitrile
• Formula: C24 H13 N O
• Calculated formula: C24 H13 N O
• SMILES: c1(ccc2ccc3ccc(c4ccc1c2c34)c1ccc(cc1)C#N)C=O
• Title of publication: Towards Quantifying a Solvation Gradient in Dendrimers. Phenylene-Alkylene-Dendrons with Site-Specifically Incorporated Solvatochromic Pyrene Probes
• Authors of publication: Matthias Beinhoff; Wilfried Weigel; Wolfgang Rettig; Irene Brüdgam; Hans Hartl; Dieter Schlüter
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 6583 - 6591
• a: 14.8742 ± 0.0014 Å
• b: 6.7877 ± 0.0007 Å
• c: 16.8008 ± 0.0016 Å
• α: 90°
• β: 108.737 ± 0.002°
• γ: 90°
• Cell volume: 1606.3 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No