Crystallography Open Database

Information card for entry 2023522

2023521 << 2023522 >> 2023523

Preview

Coordinates	2023522.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Diphenylmethyl 2-(3,5-dimethoxyphenyl)acetate
Formula	C23 H22 O4
Calculated formula	C23 H22 O4
Title of publication	Crystal structures and Hirshfeld surface analyses of diphenylmethyl 2-(3,5-dimethoxyphenyl)acetate and diphenylmethyl 2-(3,4,5-trimethoxyphenyl)acetate
Authors of publication	Kavitha, Manivel; Jayakodi, Chandiran; Meenambigai, Ganesan; Janarthanan, Sekar; Pazhamalai, Srinivasan; Selvanayagam, Sivashanmugam
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	7
a	8.5327 ± 0.0012 Å
b	11.0216 ± 0.0015 Å
c	11.4369 ± 0.0016 Å
α	111.817 ± 0.004°
β	96.977 ± 0.004°
γ	99.925 ± 0.004°
Cell volume	963.1 ± 0.2 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 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	0.1176
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1633
Weighted residual factors for all reflections included in the refinement	0.2024
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
300211 (current)	2025-06-26	cif/ Adding structures of 2023522, 2023523 via cif-deposit CGI script.	2023522.cif