Crystallography Open Database

Information card for entry 7156268

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Structure parameters

Formula	C24 H32 Br O4 P
Calculated formula	C24 H32 Br O4 P
Title of publication	Base-mediated 1,6-conjugate addition of the Seyferth-Gilbert reagent to para-quinone methides.
Authors of publication	Gupta, Ashis Kumar; Ahamad, Shakir; Vaishanv, Narendra Kumar; Kant, Ruchir; Mohanan, Kishor
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	25
Pages of publication	4623 - 4627
a	10.215 ± 0.0009 Å
b	11.4694 ± 0.0012 Å
c	12.0747 ± 0.0013 Å
α	115.285 ± 0.01°
β	93.898 ± 0.008°
γ	92.846 ± 0.008°
Cell volume	1271.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2108
Residual factor for significantly intense reflections	0.0793
Weighted residual factors for significantly intense reflections	0.193
Weighted residual factors for all reflections included in the refinement	0.2998
Goodness-of-fit parameter for all reflections included in the refinement	0.979
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7156268.cif
230757	2019-11-17	cif/ Updating files of 7156268, 7156269 Original log message: Adding full bibliography for 7156268--7156269.cif.	7156268.cif
211179	2018-09-26	cif/ Removing the _chemical_formula_sum data item from 427 entries since the values consisted only of white spaces.	7156268.cif
208045	2018-05-30	cif/ Adding structures of 7156268, 7156269 via cif-deposit CGI script.	7156268.cif