Crystallography Open Database

Information card for entry 7240673

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Structure parameters

Formula	C25 H24 O7
Calculated formula	C25 H24 O7
SMILES	O1CC=C(C(=O)OCC)C(C2=C1c1ccccc1C2=O)c1c(OC)c(OC)c(OC)cc1
Title of publication	Construct indeno[1,2-b]oxepine or cis-cyclopropylacrylate by sulfur ylides
Authors of publication	Chen, Qinfang; Pan, Yihao; Zhao, Dongxin; Yang, Weiran; Zheng, Jing
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	37
Pages of publication	21895 - 21906
a	18.8673 ± 0.0016 Å
b	10.1312 ± 0.0009 Å
c	11.7065 ± 0.0011 Å
α	90°
β	105.297 ± 0.003°
γ	90°
Cell volume	2158.4 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	3
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	0.1674
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.1586
Goodness-of-fit parameter for all reflections included in the refinement	0.881
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
301870 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure.	7240673.cif
257982	2020-10-06	cif/ Updating files of 7240673, 7240674 Original log message: Adding full bibliography for 7240673--7240674.cif.	7240673.cif
253033	2020-06-09	cif/ Adding structures of 7240673, 7240674 via cif-deposit CGI script.	7240673.cif