Information card for entry 7100120

Structure parameters

• Formula: C30 H29 Br N5 O6 Re
• Calculated formula: C30 H29 Br N5 O6 Re
• SMILES: [Re]1(Br)(C#[O])(C#[O])(C#[O])[n]2c(cc(C)[n]2C(CN2C(=O)c3c4c(C2=O)cccc4ccc3)[n]2c(cc(C)[n]12)C)C.C(=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: 8.8427 ± 0.0005 Å
• b: 13.4707 ± 0.0008 Å
• c: 13.9727 ± 0.0008 Å
• α: 67.162 ± 0.001°
• β: 89.579 ± 0.001°
• γ: 82.302 ± 0.001°
• Cell volume: 1518.27 ± 0.15 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• 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