Information card for entry 4122014

Structure parameters

• Formula: C74 H116 N4 O4
• Calculated formula: C74 H116 N4 O4
• SMILES: O(c1c2cc(N=Nc3cc(c(OCCCCCCCCCCCC)cc3)Cc3cc(N=Nc4cc(c(OCCCCCCCCCCCC)cc4)C2)ccc3OCCCCCCCCCCCC)cc1)CCCCCCCCCCCC
• Title of publication: Crystal Melting by Light: X-ray Crystal Structure Analysis of an Azo Crystal Showing Photoinduced Crystal-Melt Transition.
• Authors of publication: Hoshino, Manabu; Uchida, Emi; Norikane, Yasuo; Azumi, Reiko; Nozawa, Shunsuke; Tomita, Ayana; Sato, Tokushi; Adachi, Shin-Ichi; Koshihara, Shin-Ya
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 25
• Pages of publication: 9158 - 9164
• a: 12.51 ± 0.0003 Å
• b: 18.0407 ± 0.0005 Å
• c: 18.8888 ± 0.0006 Å
• α: 111.689 ± 0.0014°
• β: 104.642 ± 0.001°
• γ: 102.258 ± 0.0011°
• Cell volume: 3604.13 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.2256
• Weighted residual factors for all reflections included in the refinement: 0.25
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.68889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No