Crystallography Open Database

Information card for entry 7233195

Preview

Coordinates	7233195.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H38 N2 O2
Calculated formula	C30 H38 N2 O2
SMILES	O(c1ccc(/N=N/c2c(cc(cc2CC)c2ccc(OCC)cc2)CC)cc1)CCCCCC
Title of publication	A design strategy for stable light-sensitive palladium complexes
Authors of publication	Tomohiro Hirade; Yumi Okui; Mina Han
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	2672 - 2679
a	7.682 ± 0.005 Å
b	27.931 ± 0.019 Å
c	12.387 ± 0.009 Å
α	90°
β	97.151 ± 0.008°
γ	90°
Cell volume	2637 ± 3 Å³
Cell temperature	163.1 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.1166
Weighted residual factors for all reflections included in the refinement	0.3781
Goodness-of-fit parameter for all reflections included in the refinement	1.354
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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