Crystallography Open Database

Information card for entry 4519128

4519127 << 4519128 >> 4519129

Preview

Coordinates	4519128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H23 N O4
Calculated formula	C19 H23 N O4
SMILES	O(C(=O)C1=C(NC(=C(C(=O)OCC)C1c1ccccc1)C)C)CC
Title of publication	Intrinsic-Unsaturation-Enriched Biporous and Chemorobust Cu(II) Framework for Efficient Catalytic CO<sub>2</sub> Fixation and Pore-Fitting Actuated Size-Exclusive Hantzsch Condensation with Mechanistic Validation.
Authors of publication	Seal, Nilanjan; Neogi, Subhadip
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	46
Pages of publication	55123 - 55135
a	9.6487 ± 0.0003 Å
b	7.3378 ± 0.0002 Å
c	24.1782 ± 0.0009 Å
α	90°
β	91.972 ± 0.001°
γ	90°
Cell volume	1710.81 ± 0.1 Å³
Cell temperature	162.15 K
Ambient diffraction temperature	162.15 K
Number of distinct elements	4
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	0.0895
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1221
Weighted residual factors for all reflections included in the refinement	0.1555
Goodness-of-fit parameter for all reflections included in the refinement	1.0796
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
271012 (current)	2021-12-03	cif/ Adding structures of 4519128 via cif-deposit CGI script.	4519128.cif