Information card for entry 4020410

Structure parameters

• Formula: C45 H28 F6 N2 S2
• Calculated formula: C45 H28 F6 N2 S2
• SMILES: s1c(cc(C2=C(C(F)(F)C(F)(F)C2(F)F)c2cc(sc2C)c2nc3c(c(c2)c2ccccc2)cccc3)c1C)c1nc2c(c(c1)c1ccccc1)cccc2
• Title of publication: Photochromism and Electrical Transport Characteristics of a Dyad and a Polymer with Diarylethene and Quinoline Units
• Authors of publication: Hyunbong Choi; Hyowon Lee; Youngjin Kang; Eunkyoung Kim; Sang Ook Kang; Jaejung Ko
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 8291 - 8297
• a: 11.9781 ± 0.0011 Å
• b: 12.6453 ± 0.0011 Å
• c: 12.747 ± 0.0011 Å
• α: 91.735 ± 0.002°
• β: 99.01 ± 0.002°
• γ: 104.966 ± 0.002°
• Cell volume: 1837.2 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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