Crystallography Open Database

Information card for entry 1513935

Preview

Coordinates	1513935.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H29 N O
Calculated formula	C37 H29 N O
SMILES	o1c2nc(c3ccccc3)c(cc2c(c1c1ccccc1)CC(=C)c1ccccc1)CC(=C)c1ccccc1
Title of publication	Pd-Catalyzed Branching Cyclizations of Enediyne-Imides toward Furo[2,3-b]pyridines.
Authors of publication	Li, Zexiang; Ling, Fei; Cheng, Dong; Ma, Cheng
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	6
Pages of publication	1822 - 1825
a	10.8495 ± 0.0007 Å
b	12.3266 ± 0.0009 Å
c	12.3307 ± 0.0008 Å
α	106.273 ± 0.006°
β	95.855 ± 0.005°
γ	114.131 ± 0.007°
Cell volume	1399.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0856
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.1371
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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