Crystallography Open Database

Information card for entry 4030111

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Coordinates	4030111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H23 Cl N2 O5
Calculated formula	C32 H23 Cl N2 O5
Title of publication	Organocatalytic diversity-oriented asymmetric synthesis of tricyclic chroman derivatives.
Authors of publication	Geng, Zhi-Cong; Zhang, Shao-Yun; Li, Nai-Kai; Li, Ning; Chen, Jian; Li, Hai-Yan; Wang, Xing-Wang
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	22
Pages of publication	10772 - 10785
a	10.4536 ± 0.0003 Å
b	11.9049 ± 0.0003 Å
c	22.4319 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2791.63 ± 0.13 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0599
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1143
Weighted residual factors for all reflections included in the refinement	0.1233
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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