Crystallography Open Database

Information card for entry 4036134

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Coordinates	4036134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H24 N2 O4
Calculated formula	C34 H24 N2 O4
SMILES	O=C(N(O)c1ccccc1)c1c(c2c(cc1)cccc2)c1c(ccc2ccccc12)C(=O)N(O)c1ccccc1
Title of publication	Asymmetric epoxidation of allylic alcohols catalyzed by vanadium-binaphthylbishydroxamic Acid complex.
Authors of publication	Noji, Masahiro; Kobayashi, Toshihiro; Uechi, Yuria; Kikuchi, Asami; Kondo, Hisako; Sugiyama, Shigeo; Ishii, Keitaro
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	6
Pages of publication	3203 - 3210
a	9.6199 ± 0.0002 Å
b	13.6428 ± 0.0003 Å
c	10.5086 ± 0.0003 Å
α	90°
β	111.148 ± 0.0013°
γ	90°
Cell volume	1286.29 ± 0.05 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0792
Weighted residual factors for all reflections included in the refinement	0.2214
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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