Crystallography Open Database

Information card for entry 4101471

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Structure parameters

Formula	C35 H36 N4 O6
Calculated formula	C35 H36 N4 O6
SMILES	c12ccc(cc1)OCCOCCOc1ccc3cc1N=Nc1ccc(cc1)OCCOCCOc1ccc(cc1N=N2)C3(C)C
Title of publication	Dynamic control of racemization rate through E-Z photoisomerization of azobenzene and subsequent partial photoresolution under circular polarized light.
Authors of publication	Tamaoki, Nobuyuki; Wada, Momoyo
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Journal issue	19
Pages of publication	6284 - 6285
a	11.7081 ± 0.0019 Å
b	11.9876 ± 0.0019 Å
c	11.9931 ± 0.0019 Å
α	67.339 ± 0.002°
β	76.286 ± 0.003°
γ	75.921 ± 0.003°
Cell volume	1487.2 ± 0.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.0754
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1515
Weighted residual factors for all reflections included in the refinement	0.1606
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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