Information card for entry 7100119

Structure parameters

• Formula: C25 H15 Br D6 N5 O6 Re S
• Calculated formula: C25 H21 Br N5 O6 Re S
• SMILES: [Re]1(Br)(C#[O])(C#[O])(C#[O])[n]2ccc[n]2C(CN2C(=O)c3c4c(C2=O)cccc4ccc3)[n]2ccc[n]12.S(=O)(C)C
• Title of publication: Directional Control of pi Stacked Building Blocks for Crystal Engineering: the 1,8-Naphthalimide Synthon
• Authors of publication: Reger, Daniel L.; Elgin, J. Derek; Semeniuc, Radu F.; Pellechia, Perry J.; Smith, Mark D.
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 8.6135 ± 0.0005 Å
• b: 10.6869 ± 0.0006 Å
• c: 15.705 ± 0.001 Å
• α: 73.925 ± 0.001°
• β: 75.037 ± 0.001°
• γ: 83.696 ± 0.001°
• Cell volume: 1340.9 ± 0.14 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No