Information card for entry 4100795

Structure parameters

• Formula: C36 H32 N O3 Si
• Calculated formula: C35 H27 N O3 Si
• SMILES: [Si]1(C(=C(C(=C1C#Cc1ccc(cc1)OC)c1ccccc1)c1ccccc1)C#Cc1ccc(cc1)N(=O)=O)(C)C
• Title of publication: Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles
• Authors of publication: A. J. Boydston; Youshi Yin; Brian L. Pagenkopf
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 3724 - 3725
• a: 9.7618 ± 0.001 Å
• b: 11.1373 ± 0.0012 Å
• c: 13.994 ± 0.002 Å
• α: 75.116 ± 0.007°
• β: 88.385 ± 0.005°
• γ: 81.432 ± 0.004°
• Cell volume: 1453.9 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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