Crystallography Open Database

Information card for entry 4036361

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Coordinates	4036361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H30 N2 O2
Calculated formula	C29 H30 N2 O2
Title of publication	Ugi/Himbert Arene/Allene Diels-Alder Cycloaddition to Synthesize Strained Polycyclic Skeleton.
Authors of publication	Cheng, Guangsheng; He, Xiang; Tian, Lumin; Chen, Jiawen; Li, Chunju; Jia, Xueshun; Li, Jian
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	21
Pages of publication	11100 - 11107
a	9.485 ± 0.008 Å
b	12.135 ± 0.01 Å
c	12.436 ± 0.01 Å
α	61.752 ± 0.009°
β	74.897 ± 0.01°
γ	86.481 ± 0.01°
Cell volume	1214.1 ± 1.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0554
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.112
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.375
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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