Crystallography Open Database

Information card for entry 7121424

Preview

Coordinates	7121424.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 O5
Calculated formula	C26 H22 O5
Title of publication	A microfluidic photoreactor enables 2-methylbenzophenone light-driven reactions with superior performance.
Authors of publication	Mateos, Javier; Cherubini-Celli, Alessio; Carofiglio, Tommaso; Bonchio, Marcella; Marino, Nadia; Companyó, Xavier; Dell'Amico, Luca
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	50
Pages of publication	6820 - 6823
a	8.58811 ± 0.00015 Å
b	9.78515 ± 0.00016 Å
c	13.2312 ± 0.0002 Å
α	89.0458 ± 0.0013°
β	80.7673 ± 0.0014°
γ	86.3224 ± 0.0014°
Cell volume	1095.21 ± 0.03 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.1219
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228311 (current)	2019-11-17	cif/ Updating files of 7121424 Original log message: Adding full bibliography for 7121424.cif.	7121424.cif
207045	2018-03-22	cif/ Adding structures of 7121424 via cif-deposit CGI script.	7121424.cif