Crystallography Open Database

Information card for entry 8107361

Preview

Coordinates	8107361.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	dimethyl 2,2'-((2,5-bis(4-hydroxyphenyl)-2,5-dihydrofuran-3,4-diyl)dibenzoate
Formula	C34 H30 O7
Calculated formula	C34 H30 O7
SMILES	O1[C@@H](c2ccc(OC)cc2)C(=C([C@@H]1c1ccc(OC)cc1)c1c(cccc1)C(=O)OC)c1c(cccc1)C(=O)OC.O1[C@H](c2ccc(OC)cc2)C(=C([C@H]1c1ccc(OC)cc1)c1c(cccc1)C(=O)OC)c1c(cccc1)C(=O)OC
Title of publication	Synthesis and crystal structure of dimethyl 2,2′-(2,5-bis(4-hydroxyphenyl)-2,5-dihydrofuran-3,4-diyl)dibenzoate, C34H30O7
Authors of publication	Low, Yun-Yee; Lim, Siew-Huah
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	1
Pages of publication	91 - 93
a	29.4446 ± 0.0006 Å
b	12.4393 ± 0.0003 Å
c	14.9807 ± 0.0003 Å
α	90°
β	90.39 ± 0.001°
γ	90°
Cell volume	5486.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 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	0.0662
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.1023
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
284466 (current)	2023-06-15	cif/ Adding structures of 8107361 via cif-deposit CGI script.	8107361.cif