Crystallography Open Database

Information card for entry 1502991

Preview

Coordinates	1502991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 N O4
Calculated formula	C21 H19 N O4
SMILES	O=C1OCCN1C1=C(c2ccccc2C1CC(=O)OC)c1ccccc1
Title of publication	Rhodium-catalyzed annulation of ynamides with bifunctional arylboron reagents.
Authors of publication	Gourdet, Benoit; Rudkin, Mairi E.; Lam, Hon Wai
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	11
Pages of publication	2554 - 2557
a	34.5215 ± 0.001 Å
b	6.185 ± 0.0002 Å
c	16.8548 ± 0.0005 Å
α	90°
β	103.311 ± 0.002°
γ	90°
Cell volume	3502.08 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1036
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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