Crystallography Open Database

Information card for entry 7241931

7241930 << 7241931 >> 7241932

Preview

Coordinates	7241931.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	A8 in manuscript
Formula	C18 H16 O4
Calculated formula	C18 H16 O4
SMILES	C(OC/C=C\1COC(=O)O1)c1ccc(cc1)c1ccccc1
Title of publication	Copper-catalysed synthesis of α-alkylidene cyclic carbonates from propargylic alcohols and CO2
Authors of publication	Cervantes-Reyes, Alejandro; Farshadfar, Kaveh; Rudolph, Matthias; Rominger, Frank; Schaub, Thomas; Ariafard, Alireza; Hashmi, A. Stephen K.
Journal of publication	Green Chemistry
Year of publication	2021
Journal volume	23
Journal issue	2
Pages of publication	889 - 897
a	33.614 ± 0.006 Å
b	6.0727 ± 0.001 Å
c	14.459 ± 0.003 Å
α	90°
β	93.236 ± 0.003°
γ	90°
Cell volume	2946.8 ± 0.9 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1147
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1334
Weighted residual factors for all reflections included in the refinement	0.1601
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
261715 (current)	2021-02-05	cif/ Updating files of 7241930, 7241931 Original log message: Adding full bibliography for 7241930--7241931.cif.	7241931.cif
260110	2020-12-23	cif/ Adding structures of 7241930, 7241931 via cif-deposit CGI script.	7241931.cif