Crystallography Open Database

Information card for entry 7238906

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Structure parameters

Formula	C20 H21 Br2 O3 P
Calculated formula	C20 H21 Br2 O3 P
Title of publication	Reaction of an anthracene-based cyclic phosphonate ester with trimethylsilyl bromide unexpectedly generating two phosphonates: syntheses, crystal structures and fluorescent properties
Authors of publication	Cao, Deng-Ke; Lu, Yue-Hao; Zheng, Tao; Zhang, Yu-Hao; Li, Yi-Zhi; Zheng, Li-Min
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	12
Pages of publication	4001
a	6.3845 ± 0.0017 Å
b	13.615 ± 0.004 Å
c	22.618 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	1966.1 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0685
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7238906.cif
244459	2019-11-28	cif/ Adding structures of 7238904, 7238905, 7238906 via cif-deposit CGI script.	7238906.cif