Crystallography Open Database

Information card for entry 1575296

Preview

Coordinates	1575296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11.5 H9 Cl1.5 N0.5 O Ti0.5
Calculated formula	C11.5 H9 Cl1.5 N0.5 O Ti0.5
Title of publication	The side-arm-effect controlled stereodivergent polymerization of 1-butene
Authors of publication	Zhu, Guangyu; Wang, Liang; Tao, Wenjie; Hou, Hongbin; Xu, Guangqiang; Wang, Bo; Wang, Qinggang
Journal of publication	Polymer Chemistry
Year of publication	2025
Journal volume	16
Journal issue	33
Pages of publication	3675 - 3682
a	9.883 ± 0.0003 Å
b	11.2698 ± 0.0003 Å
c	14.447 ± 0.0004 Å
α	105.467 ± 0.001°
β	94.575 ± 0.001°
γ	115.251 ± 0.001°
Cell volume	1367.63 ± 0.07 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0411
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1575296.html