Crystallography Open Database

Information card for entry 7241979

7241978 << 7241979 >> 7241980

Preview

Coordinates	7241979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H10 Br0.75 Cl0.25 N O2
Calculated formula	C9 H10 Br0.75 Cl0.25 N O2
Title of publication	The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives
Authors of publication	Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	6
Pages of publication	1352 - 1359
a	5.829 ± 0.0016 Å
b	8.757 ± 0.002 Å
c	18.712 ± 0.008 Å
α	90°
β	91.96 ± 0.03°
γ	90°
Cell volume	954.6 ± 0.5 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1654
Residual factor for significantly intense reflections	0.1319
Weighted residual factors for significantly intense reflections	0.3203
Weighted residual factors for all reflections included in the refinement	0.3464
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
262578 (current)	2021-03-05	cif/ Updating files of 7241976, 7241977, 7241978, 7241979, 7241980, 7241981, 7241982, 7241983, 7241984 Original log message: Adding full bibliography for 7241976--7241984.cif.	7241979.cif
260133	2020-12-24	cif/ Adding structures of 7241976, 7241977, 7241978, 7241979, 7241980, 7241981, 7241982, 7241983, 7241984 via cif-deposit CGI script.	7241979.cif