Crystallography Open Database

Information card for entry 7115876

Preview

Coordinates	7115876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H56 N2 O3
Calculated formula	C55 H56 N2 O3
SMILES	c1(ccccc1)CN(Cc1ccccc1)c1ccc(cc1)C#Cc1ccc2c(c1)C(c1c2ccc(c1)C(=O)Cc1ccc(cc1)N(=O)=O)(CCCCCC)CCCCCC
Title of publication	Bio-inspired enol-degradation for multipurpose oxygen sensing
Authors of publication	Yu-Mo Zhang; Xiaojun Wang; Wen Li; Weiran Zhang; Minjie Li; Sean Xiao-An Zhang
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	13477
a	10.881 ± 0.008 Å
b	14.131 ± 0.007 Å
c	16.395 ± 0.009 Å
α	69.74 ± 0.017°
β	77.21 ± 0.02°
γ	71.67 ± 0.02°
Cell volume	2227 ± 2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.3491
Residual factor for significantly intense reflections	0.1624
Weighted residual factors for significantly intense reflections	0.353
Weighted residual factors for all reflections included in the refinement	0.4566
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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