Information card for entry 4021180

Structure parameters

• Formula: C18 H11 N
• Calculated formula: C18 H11 N
• SMILES: [nH]1ccc2c1cc1c3c2ccc2c3c(ccc2)cc1
• Title of publication: Highly Fluorescent Pyreno[2,1-b]pyrroles: First Syntheses, Crystal Structure, and Intriguing Photophysical Properties
• Authors of publication: Srinivasan Selvi; Shih-Chieh Pu; Yi-Ming Cheng; Jim-Min Fang; Pi-Tai Chou
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 6674 - 6678
• a: 4.996 ± 0.0002 Å
• b: 14.473 ± 0.0007 Å
• c: 16.455 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1189.81 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• 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: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1487
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No