Crystallography Open Database

Information card for entry 7158012

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Structure parameters

Formula	C23 H22 Br2 O6
Calculated formula	C23 H22 Br2 O6
Title of publication	Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.
Authors of publication	Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	18
Pages of publication	4076 - 4081
a	19.6128 ± 0.0009 Å
b	12.3072 ± 0.0006 Å
c	9.3607 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2259.47 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0421
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1054
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7158012.cif
266172	2021-06-05	cif/ Updating files of 7158011, 7158012, 7158013, 7158014, 7158015 Original log message: Adding full bibliography for 7158011--7158015.cif.	7158012.cif
263963	2021-04-08	cif/ Adding structures of 7158011, 7158012, 7158013, 7158014, 7158015 via cif-deposit CGI script.	7158012.cif