Crystallography Open Database

Information card for entry 4034735

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Structure parameters

Formula	C35 H36 N2 O4
Calculated formula	C35 H36 N2 O4
SMILES	c1c(ccc(c1)OC)C(c1ccc(cc1)OC)C(c1c2c(cnc1)cccc2)c1c(CNC(=O)C)cccc1.OC
Title of publication	Reactivity of Anodically Generated 4-Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Hydroxymethyl, Aminomethyl, and Carboxylic Acid Groups.
Authors of publication	Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	24
Pages of publication	15087 - 15100
a	15.8188 ± 0.0003 Å
b	10.00924 ± 0.00019 Å
c	18.044 ± 0.0004 Å
α	90°
β	101.411 ± 0.0019°
γ	90°
Cell volume	2800.51 ± 0.1 Å³
Cell temperature	149 ± 1 K
Ambient diffraction temperature	149 ± 1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1423
Weighted residual factors for all reflections included in the refinement	0.1478
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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